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

Systemtic Name: (E)-3-[1-[(4-methylphenyl)methyl]-3-phenyl-pyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[3-phenyl-1-(p-tolylmethyl)pyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[1-[(4-methylphenyl)methyl]-3-phenyl-4-pyrazolyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-[1-[(4-methylphenyl)methyl]-3-phenylpyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[1-(4-methylbenzyl)-3-phenyl-pyrazol-4-yl]-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C28H28N6O MolecularWeight: 464.56152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)C=CC(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)/C=C/C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C28H28N6O/c1-22-8-10-23(11-9-22)20-34-21-25(27(31-34)24-6-3-2-4-7-24)12-13-26(35)32-16-18-33(19-17-32)28-29-14-5-15-30-28/h2-15,21H,16-20H2,1H3/b13-12+