N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-ethanoyl-1,4-diazepan-1-yl)-2-(4-fluoranyl-2-methyl-phenyl)-N-methyl-pyrrolidine-1-carboxamide

Systemtic Name: N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-ethanoyl-1,4-diazepan-1-yl)-2-(4-fluoranyl-2-methyl-phenyl)-N-methyl-pyrrolidine-1-carboxamide Openeye Name: 3-(4-acetyl-1,4-diazepan-1-yl)-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methyl-phenyl)-N-methyl-pyrrolidine-1-carboxamide CAS Name: 3-(4-acetyl-1,4-diazepan-1-yl)-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-1-pyrrolidinecarboxamide IUPAC Name: 3-(4-acetyl-1,4-diazepan-1-yl)-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpyrrolidine-1-carboxamide Traditional Name: 3-(4-acetyl-1,4-diazepan-1-yl)-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methyl-phenyl)-N-methyl-pyrrolidine-1-carboxamide Formula: C30H35F7N4O2 MolecularWeight: 616.613322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2C(CCN2C(=O)N(C)C(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCCN(CC4)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2C(CCN2C(=O)N(C)[C@@H](C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCCN(CC4)C(=O)C

InChI

InChI=1S/C30H35F7N4O2/c1-18-14-24(31)6-7-25(18)27-26(40-10-5-9-39(12-13-40)20(3)42)8-11-41(27)28(43)38(4)19(2)21-15-22(29(32,33)34)17-23(16-21)30(35,36)37/h6-7,14-17,19,26-27H,5,8-13H2,1-4H3/t19-,26?,27?/m0/s1