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

Systemtic Name: 3-methyl-N-[6-[4-(2-methylphenyl)carbonylpiperazin-1-yl]pyridin-3-yl]but-2-enamide Openeye Name: 3-methyl-N-[6-[4-(2-methylbenzoyl)piperazin-1-yl]-3-pyridyl]but-2-enamide CAS Name: 3-methyl-N-[6-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]-3-pyridinyl]-2-butenamide IUPAC Name: 3-methyl-N-[6-[4-(2-methylbenzoyl)piperazin-1-yl]pyridin-3-yl]but-2-enamide Traditional Name: 3-methyl-N-[6-(4-o-toluoylpiperazino)-3-pyridyl]but-2-enamide Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC=C(C=C3)NC(=O)C=C(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC=C(C=C3)NC(=O)C=C(C)C

InChI

InChI=1S/C22H26N4O2/c1-16(2)14-21(27)24-18-8-9-20(23-15-18)25-10-12-26(13-11-25)22(28)19-7-5-4-6-17(19)3/h4-9,14-15H,10-13H2,1-3H3,(H,24,27)