[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [3-(p-tolyl)-1-(p-tolylmethyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [1-(4-methylbenzyl)-3-(p-tolyl)pyrazol-4-yl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C27H28N6O MolecularWeight: 452.55082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N6O/c1-20-4-8-22(9-5-20)18-33-19-24(25(30-33)23-10-6-21(2)7-11-23)26(34)31-14-16-32(17-15-31)27-28-12-3-13-29-27/h3-13,19H,14-18H2,1-2H3