[3-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-3-[2-[4-[1-[2-(trifluoromethoxy)ethyl]benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidino]-(3,4,5-trimethoxyphenyl)methanone Formula: C37H43F4N5O5 MolecularWeight: 713.761433

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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)F

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)F

InChI

InChI=1S/C37H43F4N5O5/c1-48-31-23-26(24-32(49-2)33(31)50-3)34(47)45-18-14-36(25-45,27-9-11-28(38)12-10-27)13-17-43-15-6-16-44(20-19-43)35-42-29-7-4-5-8-30(29)46(35)21-22-51-37(39,40)41/h4-5,7-12,23-24H,6,13-22,25H2,1-3H3