(E)-3-(2-methylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(2-methylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(o-tolyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(2-methylphenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(2-methylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(o-tolyl)-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C18H20N4O MolecularWeight: 308.3776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=CC=C1/C=C/C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H20N4O/c1-15-5-2-3-6-16(15)7-8-17(23)21-11-13-22(14-12-21)18-19-9-4-10-20-18/h2-10H,11-14H2,1H3/b8-7+