N,N-bis[(3-chlorophenyl)methyl]-4-[[2-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylamino]-2-oxidanylidene-ethyl]-[(3-methylimidazol-4-yl)methyl]amino]piperidine-1-carboxamide

Systemtic Name: N,N-bis[(3-chlorophenyl)methyl]-4-[[2-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylamino]-2-oxidanylidene-ethyl]-[(3-methylimidazol-4-yl)methyl]amino]piperidine-1-carboxamide Openeye Name: N,N-bis[(3-chlorophenyl)methyl]-4-[[2-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylamino]-2-oxo-ethyl]-[(3-methylimidazol-4-yl)methyl]amino]piperidine-1-carboxamide CAS Name: N,N-bis[(3-chlorophenyl)methyl]-4-[[2-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylamino]-2-oxoethyl]-[(3-methyl-4-imidazolyl)methyl]amino]-1-piperidinecarboxamide IUPAC Name: N,N-bis[(3-chlorophenyl)methyl]-4-[[2-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylamino]-2-oxoethyl]-[(3-methylimidazol-4-yl)methyl]amino]piperidine-1-carboxamide Traditional Name: N,N-bis(3-chlorobenzyl)-4-[[2-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylamino]-2-keto-ethyl]-[(3-methylimidazol-4-yl)methyl]amino]piperidine-1-carboxamide Formula: C40H43Cl4N9O4 MolecularWeight: 855.63932

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CN(CC(=O)NCC2COC(O2)(CN3C=NC=N3)C4=C(C=C(C=C4)Cl)Cl)C5CCN(CC5)C(=O)N(CC6=CC(=CC=C6)Cl)CC7=CC(=CC=C7)Cl

Isomeric SMILES

CN1C=NC=C1CN(CC(=O)NC[C@H]2CO[C@](O2)(CN3C=NC=N3)C4=C(C=C(C=C4)Cl)Cl)C5CCN(CC5)C(=O)N(CC6=CC(=CC=C6)Cl)CC7=CC(=CC=C7)Cl

InChI

InChI=1S/C40H43Cl4N9O4/c1-49-26-45-17-34(49)21-51(22-38(54)47-18-35-23-56-40(57-35,24-53-27-46-25-48-53)36-9-8-32(43)16-37(36)44)33-10-12-50(13-11-33)39(55)52(19-28-4-2-6-30(41)14-28)20-29-5-3-7-31(42)15-29/h2-9,14-17,25-27,33,35H,10-13,18-24H2,1H3,(H,47,54)/t35-,40-/m0/s1