N-methyl-1-(3-methylbutyl)-4-oxidanylidene-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-pyridine-3-carboxamide

Systemtic Name: N-methyl-1-(3-methylbutyl)-4-oxidanylidene-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-pyridine-3-carboxamide Openeye Name: 1-isopentyl-N-methyl-4-oxo-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridine-3-carboxamide CAS Name: N-methyl-1-(3-methylbutyl)-4-oxo-5-[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-methyl-1-(3-methylbutyl)-4-oxo-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridine-3-carboxamide Traditional Name: 1-isoamyl-4-keto-N-methyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]nicotinamide Formula: C24H29F3N4O3 MolecularWeight: 478.50727

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(C(=O)C(=C1)C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C(=O)NC

Isomeric SMILES

CC(C)CCN1C=C(C(=O)C(=C1)C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C(=O)NC

InChI

InChI=1S/C24H29F3N4O3/c1-16(2)7-8-29-14-19(22(33)28-3)21(32)20(15-29)23(34)31-11-9-30(10-12-31)18-6-4-5-17(13-18)24(25,26)27/h4-6,13-16H,7-12H2,1-3H3,(H,28,33)