[3-(3,4-dichlorophenyl)-3-[2-[4-[1-(2-phenoxyethyl)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-(2-phenoxyethyl)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-phenoxyethyl)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-phenoxyethyl)-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-(2-phenoxyethyl)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-phenoxyethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidino]-(3,4,5-trimethoxyphenyl)methanone Formula: C42H47Cl2N5O5 MolecularWeight: 772.75908

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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=C5N4CCOC6=CC=CC=C6)C7=CC(=C(C=C7)Cl)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCCN(CC3)C4=NC5=CC=CC=C5N4CCOC6=CC=CC=C6)C7=CC(=C(C=C7)Cl)Cl

InChI

InChI=1S/C42H47Cl2N5O5/c1-51-37-26-30(27-38(52-2)39(37)53-3)40(50)48-21-17-42(29-48,31-14-15-33(43)34(44)28-31)16-20-46-18-9-19-47(23-22-46)41-45-35-12-7-8-13-36(35)49(41)24-25-54-32-10-5-4-6-11-32/h4-8,10-15,26-28H,9,16-25,29H2,1-3H3