[3-(3,4-dichlorophenyl)-3-[2-[4-[1-[2-(trifluoromethyloxy)ethyl]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-(trifluoromethyloxy)ethyl]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-(trifluoromethoxy)ethyl]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-(trifluoromethoxy)ethyl]-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-(trifluoromethoxy)ethyl]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-(trifluoromethoxy)ethyl]benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidino]-(3,4,5-trimethoxyphenyl)methanone Formula: C37H42Cl2F3N5O5 MolecularWeight: 764.66109

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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=C5N4CCOC(F)(F)F)C6=CC(=C(C=C6)Cl)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCCN(CC3)C4=NC5=CC=CC=C5N4CCOC(F)(F)F)C6=CC(=C(C=C6)Cl)Cl

InChI

InChI=1S/C37H42Cl2F3N5O5/c1-49-31-21-25(22-32(50-2)33(31)51-3)34(48)46-16-12-36(24-46,26-9-10-27(38)28(39)23-26)11-15-44-13-6-14-45(18-17-44)35-43-29-7-4-5-8-30(29)47(35)19-20-52-37(40,41)42/h4-5,7-10,21-23H,6,11-20,24H2,1-3H3