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

Systemtic Name: [3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [1-benzyl-3-(p-tolyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [3-(4-methylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [1-benzyl-3-(p-tolyl)pyrazol-4-yl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C26H26N6O MolecularWeight: 438.52424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CCN(CC3)C4=NC=CC=N4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CCN(CC3)C4=NC=CC=N4)CC5=CC=CC=C5

InChI

InChI=1S/C26H26N6O/c1-20-8-10-22(11-9-20)24-23(19-32(29-24)18-21-6-3-2-4-7-21)25(33)30-14-16-31(17-15-30)26-27-12-5-13-28-26/h2-13,19H,14-18H2,1H3