[3-(3,4-dichlorophenyl)-3-[2-[4-(1-prop-2-enylbenzimidazol-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-prop-2-enylbenzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [3-[2-[4-(1-allylbenzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]-3-(3,4-dichlorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [3-(3,4-dichlorophenyl)-3-[2-[4-(1-prop-2-enyl-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-prop-2-enylbenzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [3-[2-[4-(1-allylbenzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]-3-(3,4-dichlorophenyl)pyrrolidino]-(3,4,5-trimethoxyphenyl)methanone Formula: C37H43Cl2N5O4 MolecularWeight: 692.67442

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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=C5N4CC=C)C6=CC(=C(C=C6)Cl)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCCN(CC3)C4=NC5=CC=CC=C5N4CC=C)C6=CC(=C(C=C6)Cl)Cl

InChI

InChI=1S/C37H43Cl2N5O4/c1-5-15-44-31-10-7-6-9-30(31)40-36(44)42-17-8-16-41(20-21-42)18-13-37(27-11-12-28(38)29(39)24-27)14-19-43(25-37)35(45)26-22-32(46-2)34(48-4)33(23-26)47-3/h5-7,9-12,22-24H,1,8,13-21,25H2,2-4H3