(E)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C27H26N6O MolecularWeight: 450.53494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)N3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)N3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N6O/c1-21-8-10-22(11-9-21)26-23(20-33(30-26)24-6-3-2-4-7-24)12-13-25(34)31-16-18-32(19-17-31)27-28-14-5-15-29-27/h2-15,20H,16-19H2,1H3/b13-12+