[3-pyridin-2-yl-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-pyridin-2-yl-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-(2-pyridyl)-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-(2-pyridinyl)-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-pyridin-2-yl-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-(2-pyridyl)-3-[2-[4-[1-[2-(trifluoromethoxy)ethyl]benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidino]-(3,4,5-trimethoxyphenyl)methanone Formula: C36H43F3N6O5 MolecularWeight: 696.75903

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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=CC=N6

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCCN(CC3)C4=NC5=CC=CC=C5N4CCOC(F)(F)F)C6=CC=CC=N6

InChI

InChI=1S/C36H43F3N6O5/c1-47-29-23-26(24-30(48-2)32(29)49-3)33(46)44-18-13-35(25-44,31-11-6-7-14-40-31)12-17-42-15-8-16-43(20-19-42)34-41-27-9-4-5-10-28(27)45(34)21-22-50-36(37,38)39/h4-7,9-11,14,23-24H,8,12-13,15-22,25H2,1-3H3