(E)-3-(4-methylphenyl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(4-methylphenyl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]prop-2-enamide Openeye Name: (E)-3-(p-tolyl)-N-[(1-pyrimidin-2-yl-3-piperidyl)methyl]prop-2-enamide CAS Name: (E)-3-(4-methylphenyl)-N-[[1-(2-pyrimidinyl)-3-piperidinyl]methyl]-2-propenamide IUPAC Name: (E)-3-(4-methylphenyl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]prop-2-enamide Traditional Name: (E)-3-(p-tolyl)-N-[[1-(2-pyrimidyl)-3-piperidyl]methyl]acrylamide Formula: C20H24N4O MolecularWeight: 336.43076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NCC2CCCN(C2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NCC2CCCN(C2)C3=NC=CC=N3

InChI

InChI=1S/C20H24N4O/c1-16-5-7-17(8-6-16)9-10-19(25)23-14-18-4-2-13-24(15-18)20-21-11-3-12-22-20/h3,5-12,18H,2,4,13-15H2,1H3,(H,23,25)/b10-9+