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

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-3-carboxamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-1-[3-(trifluoromethyl)-2-pyridyl]piperidine-3-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3-piperidinecarboxamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-3-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-1-[3-(trifluoromethyl)-2-pyridyl]nipecotamide Formula: C23H27F3N4O2 MolecularWeight: 448.48129

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C3=C(C=CC=N3)C(F)(F)F

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C3=C(C=CC=N3)C(F)(F)F

InChI

InChI=1S/C23H27F3N4O2/c1-15(2)13-20(31)28-17-7-9-18(10-8-17)29-22(32)16-5-4-12-30(14-16)21-19(23(24,25)26)6-3-11-27-21/h3,6-11,15-16H,4-5,12-14H2,1-2H3,(H,28,31)(H,29,32)