2-azanyl-4-[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione

Systemtic Name: 2-azanyl-4-[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione Openeye Name: 2-amino-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidyl]-1-[4-(1-piperidyl)-1-piperidyl]butane-1,4-dione CAS Name: 2-amino-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinyl]-1-[4-(1-piperidinyl)-1-piperidinyl]butane-1,4-dione IUPAC Name: 2-amino-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione Traditional Name: 2-amino-4-[4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidino]-1-(4-piperidinopiperidino)butane-1,4-dione Formula: C27H40N6O3 MolecularWeight: 496.6449

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)C(=O)C(CC(=O)N3CCC(CC3)N4CC5=CC=CC=C5NC4=O)N

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)C(=O)C(CC(=O)N3CCC(CC3)N4CC5=CC=CC=C5NC4=O)N

InChI

InChI=1S/C27H40N6O3/c28-23(26(35)32-16-8-21(9-17-32)30-12-4-1-5-13-30)18-25(34)31-14-10-22(11-15-31)33-19-20-6-2-3-7-24(20)29-27(33)36/h2-3,6-7,21-23H,1,4-5,8-19,28H2,(H,29,36)