3-methyl-N-[6-[4-[4-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridin-3-yl]but-2-enamide

Systemtic Name: 3-methyl-N-[6-[4-[4-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridin-3-yl]but-2-enamide Openeye Name: 3-methyl-N-[6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridyl]but-2-enamide CAS Name: 3-methyl-N-[6-[4-[oxo-[4-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-3-pyridinyl]-2-butenamide IUPAC Name: 3-methyl-N-[6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridin-3-yl]but-2-enamide Traditional Name: 3-methyl-N-[6-[4-[4-(trifluoromethyl)benzoyl]piperazino]-3-pyridyl]but-2-enamide Formula: C22H23F3N4O2 MolecularWeight: 432.43883

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(F)(F)F)C

Isomeric SMILES

CC(=CC(=O)NC1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(F)(F)F)C

InChI

InChI=1S/C22H23F3N4O2/c1-15(2)13-20(30)27-18-7-8-19(26-14-18)28-9-11-29(12-10-28)21(31)16-3-5-17(6-4-16)22(23,24)25/h3-8,13-14H,9-12H2,1-2H3,(H,27,30)