3-methyl-N-[6-[4-(phenylcarbonyl)piperazin-1-yl]pyridin-3-yl]but-2-enamide

Systemtic Name: 3-methyl-N-[6-[4-(phenylcarbonyl)piperazin-1-yl]pyridin-3-yl]but-2-enamide Openeye Name: N-[6-(4-benzoylpiperazin-1-yl)-3-pyridyl]-3-methyl-but-2-enamide CAS Name: N-[6-(4-benzoyl-1-piperazinyl)-3-pyridinyl]-3-methyl-2-butenamide IUPAC Name: N-[6-(4-benzoylpiperazin-1-yl)pyridin-3-yl]-3-methylbut-2-enamide Traditional Name: N-[6-(4-benzoylpiperazino)-3-pyridyl]-3-methyl-but-2-enamide Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2/c1-16(2)14-20(26)23-18-8-9-19(22-15-18)24-10-12-25(13-11-24)21(27)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H,23,26)