[3-phenyl-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-phenyl-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-phenyl-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-phenyl-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-phenyl-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-phenyl-3-[2-[4-[1-[2-(trifluoromethoxy)ethyl]benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidino]-(3,4,5-trimethoxyphenyl)methanone Formula: C37H44F3N5O5 MolecularWeight: 695.77097

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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=C6

Isomeric SMILES

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

InChI

InChI=1S/C37H44F3N5O5/c1-47-31-24-27(25-32(48-2)33(31)49-3)34(46)44-19-15-36(26-44,28-10-5-4-6-11-28)14-18-42-16-9-17-43(21-20-42)35-41-29-12-7-8-13-30(29)45(35)22-23-50-37(38,39)40/h4-8,10-13,24-25H,9,14-23,26H2,1-3H3