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

Systemtic Name: 5-[2-[4-[2-[3-phenyl-1-(3,4,5-trimethoxyphenyl)carbonyl-pyrrolidin-3-yl]ethyl]-1,4-diazepan-1-yl]benzimidazol-1-yl]pentanenitrile hydrochloride Openeye Name: 5-[2-[4-[2-[3-phenyl-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-1,4-diazepan-1-yl]benzimidazol-1-yl]pentanenitrile hydrochloride CAS Name: 5-[2-[4-[2-[1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-3-phenyl-3-pyrrolidinyl]ethyl]-1,4-diazepan-1-yl]-1-benzimidazolyl]pentanenitrile hydrochloride IUPAC Name: 5-[2-[4-[2-[3-phenyl-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-1,4-diazepan-1-yl]benzimidazol-1-yl]pentanenitrile hydrochloride Traditional Name: 5-[2-[4-[2-[3-phenyl-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-1,4-diazepan-1-yl]benzimidazol-1-yl]valeronitrile hydrochloride Formula: C39H49ClN6O4 MolecularWeight: 701.29716

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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=CC=C6.Cl

Isomeric SMILES

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

InChI

InChI=1S/C39H48N6O4.ClH/c1-47-34-27-30(28-35(48-2)36(34)49-3)37(46)44-24-18-39(29-44,31-13-6-4-7-14-31)17-23-42-20-12-21-43(26-25-42)38-41-32-15-8-9-16-33(32)45(38)22-11-5-10-19-40;/h4,6-9,13-16,27-28H,5,10-12,17-18,20-26,29H2,1-3H3;1H