5-[2-[4-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)carbonyl-pyrrolidin-3-yl]ethyl]-1,4-diazepan-1-yl]benzimidazol-1-yl]pentanenitrile

Systemtic Name: 5-[2-[4-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)carbonyl-pyrrolidin-3-yl]ethyl]-1,4-diazepan-1-yl]benzimidazol-1-yl]pentanenitrile Openeye Name: 5-[2-[4-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-1,4-diazepan-1-yl]benzimidazol-1-yl]pentanenitrile CAS Name: 5-[2-[4-[2-[3-(3,4-dichlorophenyl)-1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-3-pyrrolidinyl]ethyl]-1,4-diazepan-1-yl]-1-benzimidazolyl]pentanenitrile IUPAC Name: 5-[2-[4-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-1,4-diazepan-1-yl]benzimidazol-1-yl]pentanenitrile Traditional Name: 5-[2-[4-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-1,4-diazepan-1-yl]benzimidazol-1-yl]valeronitrile Formula: C39H46Cl2N6O4 MolecularWeight: 733.72634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCCN(CC3)C4=NC5=CC=CC=C5N4CCCCC#N)C6=CC(=C(C=C6)Cl)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCCN(CC3)C4=NC5=CC=CC=C5N4CCCCC#N)C6=CC(=C(C=C6)Cl)Cl

InChI

InChI=1S/C39H46Cl2N6O4/c1-49-34-24-28(25-35(50-2)36(34)51-3)37(48)46-21-15-39(27-46,29-12-13-30(40)31(41)26-29)14-20-44-17-9-18-45(23-22-44)38-43-32-10-5-6-11-33(32)47(38)19-8-4-7-16-42/h5-6,10-13,24-26H,4,7-9,14-15,17-23,27H2,1-3H3