3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one Openeye Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[2-[4-[1-(2-ethoxyethyl)-2-benzimidazolyl]-1,4-diazepan-1-yl]ethyl]-1-[(2-methoxyphenyl)methyl]-2-pyrrolidinone IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one Traditional Name: 3-[3,5-bis(trifluoromethyl)benzyl]-3-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-1-o-anisyl-2-pyrrolidone Formula: C39H45F6N5O3 MolecularWeight: 745.796719

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=CC=CC=C2N=C1N3CCCN(CC3)CCC4(CCN(C4=O)CC5=CC=CC=C5OC)CC6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCOCCN1C2=CC=CC=C2N=C1N3CCCN(CC3)CCC4(CCN(C4=O)CC5=CC=CC=C5OC)CC6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C39H45F6N5O3/c1-3-53-22-21-50-33-11-6-5-10-32(33)46-36(50)48-16-8-15-47(19-20-48)17-13-37(14-18-49(35(37)51)27-29-9-4-7-12-34(29)52-2)26-28-23-30(38(40,41)42)25-31(24-28)39(43,44)45/h4-7,9-12,23-25H,3,8,13-22,26-27H2,1-2H3