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

Systemtic Name: [3-[2-[4-[1-(2-imidazol-1-ylethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-pyridin-3-yl-pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [3-[2-[4-[1-(2-imidazol-1-ylethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-(3-pyridyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [3-[2-[4-[1-[2-(1-imidazolyl)ethyl]-2-benzimidazolyl]-1,4-diazepan-1-yl]ethyl]-3-(3-pyridinyl)-1-pyrrolidinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [3-[2-[4-[1-(2-imidazol-1-ylethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-pyridin-3-ylpyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [3-[2-[4-[1-(2-imidazol-1-ylethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-(3-pyridyl)pyrrolidino]-(3,4,5-trimethoxyphenyl)methanone Formula: C38H46N8O4 MolecularWeight: 678.82304

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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=C5N4CCN6C=CN=C6)C7=CN=CC=C7

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCCN(CC3)C4=NC5=CC=CC=C5N4CCN6C=CN=C6)C7=CN=CC=C7

InChI

InChI=1S/C38H46N8O4/c1-48-33-24-29(25-34(49-2)35(33)50-3)36(47)45-18-12-38(27-45,30-8-6-13-39-26-30)11-17-42-15-7-16-44(22-20-42)37-41-31-9-4-5-10-32(31)46(37)23-21-43-19-14-40-28-43/h4-6,8-10,13-14,19,24-26,28H,7,11-12,15-18,20-23,27H2,1-3H3