[3-phenyl-3-[2-[4-[1-[2-[2,2,2-tris(fluoranyl)ethoxy]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-[2,2,2-tris(fluoranyl)ethoxy]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-(2,2,2-trifluoroethoxy)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-(2,2,2-trifluoroethoxy)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-(2,2,2-trifluoroethoxy)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-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidino]-(3,4,5-trimethoxyphenyl)methanone Formula: C38H46F3N5O5 MolecularWeight: 709.79755

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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=C5N4CCOCC(F)(F)F)C6=CC=CC=C6

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCCN(CC3)C4=NC5=CC=CC=C5N4CCOCC(F)(F)F)C6=CC=CC=C6

InChI

InChI=1S/C38H46F3N5O5/c1-48-32-24-28(25-33(49-2)34(32)50-3)35(47)45-19-15-37(26-45,29-10-5-4-6-11-29)14-18-43-16-9-17-44(21-20-43)36-42-30-12-7-8-13-31(30)46(36)22-23-51-27-38(39,40)41/h4-8,10-13,24-25H,9,14-23,26-27H2,1-3H3