N-(4-acetamido-3-methyl-phenyl)-1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-3-carboxamide

Systemtic Name: N-(4-acetamido-3-methyl-phenyl)-1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-3-carboxamide Openeye Name: N-(4-acetamido-3-methyl-phenyl)-1-[3-(trifluoromethyl)-2-pyridyl]piperidine-3-carboxamide CAS Name: N-(4-acetamido-3-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3-piperidinecarboxamide IUPAC Name: N-(4-acetamido-3-methylphenyl)-1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-3-carboxamide Traditional Name: N-(4-acetamido-3-methyl-phenyl)-1-[3-(trifluoromethyl)-2-pyridyl]nipecotamide Formula: C21H23F3N4O2 MolecularWeight: 420.42813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCCN(C2)C3=C(C=CC=N3)C(F)(F)F)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2CCCN(C2)C3=C(C=CC=N3)C(F)(F)F)NC(=O)C

InChI

InChI=1S/C21H23F3N4O2/c1-13-11-16(7-8-18(13)26-14(2)29)27-20(30)15-5-4-10-28(12-15)19-17(21(22,23)24)6-3-9-25-19/h3,6-9,11,15H,4-5,10,12H2,1-2H3,(H,26,29)(H,27,30)