[3-(3,4-dichlorophenyl)-3-[2-[4-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [3-(3,4-dichlorophenyl)-3-[2-[4-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [3-(3,4-dichlorophenyl)-3-[2-[4-[1-(2-pyridylmethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [3-(3,4-dichlorophenyl)-3-[2-[4-[1-(2-pyridinylmethyl)-2-benzimidazolyl]-1,4-diazepan-1-yl]ethyl]-1-pyrrolidinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [3-(3,4-dichlorophenyl)-3-[2-[4-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [3-(3,4-dichlorophenyl)-3-[2-[4-[1-(2-pyridylmethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidino]-(3,4,5-trimethoxyphenyl)methanone Formula: C40H44Cl2N6O4 MolecularWeight: 743.72116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCCN(CC3)C4=NC5=CC=CC=C5N4CC6=CC=CC=N6)C7=CC(=C(C=C7)Cl)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCCN(CC3)C4=NC5=CC=CC=C5N4CC6=CC=CC=N6)C7=CC(=C(C=C7)Cl)Cl

InChI

InChI=1S/C40H44Cl2N6O4/c1-50-35-23-28(24-36(51-2)37(35)52-3)38(49)47-20-15-40(27-47,29-12-13-31(41)32(42)25-29)14-19-45-17-8-18-46(22-21-45)39-44-33-10-4-5-11-34(33)48(39)26-30-9-6-7-16-43-30/h4-7,9-13,16,23-25H,8,14-15,17-22,26-27H2,1-3H3