(3S,4S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluoranyl-2-methyl-phenyl)-N-methyl-1-(1-propanoylpiperidin-3-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: (3S,4S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluoranyl-2-methyl-phenyl)-N-methyl-1-(1-propanoylpiperidin-3-yl)carbonyl-piperidine-4-carboxamide Openeye Name: (3S,4S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluoro-2-methyl-phenyl)-N-methyl-1-(1-propanoylpiperidine-3-carbonyl)piperidine-4-carboxamide CAS Name: (3S,4S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluoro-2-methylphenyl)-N-methyl-1-[oxo-[1-(1-oxopropyl)-3-piperidinyl]methyl]-4-piperidinecarboxamide IUPAC Name: (3S,4S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-propanoylpiperidine-3-carbonyl)piperidine-4-carboxamide Traditional Name: (3S,4S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluoro-2-methyl-phenyl)-N-methyl-1-(1-propionylnipecotoyl)isonipecotamide Formula: C33H38F7N3O3 MolecularWeight: 657.661942

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCCC(C1)C(=O)N2CCC(C(C2)C3=C(C=C(C=C3)F)C)C(=O)N(C)C(C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCC(=O)N1CCCC(C1)C(=O)N2CC[C@@H]([C@H](C2)C3=C(C=C(C=C3)F)C)C(=O)N(C)[C@H](C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C33H38F7N3O3/c1-5-29(44)42-11-6-7-21(17-42)30(45)43-12-10-27(28(18-43)26-9-8-25(34)13-19(26)2)31(46)41(4)20(3)22-14-23(32(35,36)37)16-24(15-22)33(38,39)40/h8-9,13-16,20-21,27-28H,5-7,10-12,17-18H2,1-4H3/t20-,21?,27+,28-/m1/s1