(E)-3-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(p-tolyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(4-methylphenyl)-2-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-propenenitrile IUPAC Name: (E)-3-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(p-tolyl)-2-[4-(2-pyrimidyl)piperazine-1-carbonyl]acrylonitrile Formula: C19H19N5O MolecularWeight: 333.38706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O/c1-15-3-5-16(6-4-15)13-17(14-20)18(25)23-9-11-24(12-10-23)19-21-7-2-8-22-19/h2-8,13H,9-12H2,1H3/b17-13+