1-(2-methylphenyl)carbonyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-methylphenyl)carbonyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(2-methylbenzoyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: 1-[(2-methylphenyl)-oxomethyl]-N-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-methylbenzoyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-o-toluoyl-N-[2-pyrrolidino-5-(trifluoromethyl)phenyl]isonipecotamide Formula: C25H28F3N3O2 MolecularWeight: 459.50393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCCC4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCCC4

InChI

InChI=1S/C25H28F3N3O2/c1-17-6-2-3-7-20(17)24(33)31-14-10-18(11-15-31)23(32)29-21-16-19(25(26,27)28)8-9-22(21)30-12-4-5-13-30/h2-3,6-9,16,18H,4-5,10-15H2,1H3,(H,29,32)