1-[2-(3-azanylpiperidin-1-yl)-3-(4-azanylpiperidin-1-yl)-6-imidazolidin-2-yl-3-morpholin-4-yl-2-(4-oxidanylpiperidin-1-yl)-7-piperazin-1-yl-6-piperidin-1-yl-5-pyrazolidin-1-yl-5-pyrrolidin-1-yl-7-(1,2,5,6-tetrahydropyrimidin-2-yl)-1,4-diazepan-1-yl]piperidin-3-ol

Systemtic Name: 1-[2-(3-azanylpiperidin-1-yl)-3-(4-azanylpiperidin-1-yl)-6-imidazolidin-2-yl-3-morpholin-4-yl-2-(4-oxidanylpiperidin-1-yl)-7-piperazin-1-yl-6-piperidin-1-yl-5-pyrazolidin-1-yl-5-pyrrolidin-1-yl-7-(1,2,5,6-tetrahydropyrimidin-2-yl)-1,4-diazepan-1-yl]piperidin-3-ol Openeye Name: 1-[2-(3-amino-1-piperidyl)-3-(4-amino-1-piperidyl)-2-(4-hydroxy-1-piperidyl)-6-imidazolidin-2-yl-3-morpholino-7-piperazin-1-yl-6-(1-piperidyl)-5-pyrazolidin-1-yl-5-pyrrolidin-1-yl-7-(1,2,5,6-tetrahydropyrimidin-2-yl)-1,4-diazepan-1-yl]piperidin-3-ol CAS Name: 1-[2-(3-amino-1-piperidinyl)-3-(4-amino-1-piperidinyl)-2-(4-hydroxy-1-piperidinyl)-6-(2-imidazolidinyl)-3-(4-morpholinyl)-7-(1-piperazinyl)-6-(1-piperidinyl)-5-(1-pyrazolidinyl)-5-(1-pyrrolidinyl)-7-(1,2,5,6-tetrahydropyrimidin-2-yl)-1,4-diazepan-1-yl]-3-piperidinol IUPAC Name: 1-[2-(3-aminopiperidin-1-yl)-3-(4-aminopiperidin-1-yl)-2-(4-hydroxypiperidin-1-yl)-6-imidazolidin-2-yl-3-morpholin-4-yl-7-piperazin-1-yl-6-piperidin-1-yl-5-pyrazolidin-1-yl-5-pyrrolidin-1-yl-7-(1,2,5,6-tetrahydropyrimidin-2-yl)-1,4-diazepan-1-yl]piperidin-3-ol Traditional Name: 1-[2-(3-aminopiperidino)-3-(4-aminopiperidino)-2-(4-hydroxypiperidino)-6-imidazolidin-2-yl-3-morpholino-7-piperazino-6-piperidino-5-pyrazolidin-1-yl-5-pyrrolidino-7-(1,2,5,6-tetrahydropyrimidin-2-yl)-1,4-diazepan-1-yl]piperidin-3-ol Formula: C52H99N19O3 MolecularWeight: 1038.46796

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2(C(N(C(C(NC2(N3CCCC3)N4CCCN4)(N5CCC(CC5)N)N6CCOCC6)(N7CCC(CC7)O)N8CCCC(C8)N)N9CCCC(C9)O)(C1NCCC=N1)N1CCNCC1)C1NCCN1

Isomeric SMILES

C1CCN(CC1)C2(C(N(C(C(NC2(N3CCCC3)N4CCCN4)(N5CCC(CC5)N)N6CCOCC6)(N7CCC(CC7)O)N8CCCC(C8)N)N9CCCC(C9)O)(C1NCCC=N1)N1CCNCC1)C1NCCN1

InChI

InChI=1S/C52H99N19O3/c53-42-12-30-65(31-13-42)51(66-36-38-74-39-37-66)52(67-32-14-44(72)15-33-67,68-27-6-10-43(54)40-68)71(69-28-7-11-45(73)41-69)49(47-56-16-8-17-57-47,63-34-21-55-22-35-63)48(46-58-19-20-59-46,62-23-2-1-3-24-62)50(61-51,64-25-4-5-26-64)70-29-9-18-60-70/h16,42-47,55,57-61,72-73H,1-15,17-41,53-54H2