[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C26H26N6O MolecularWeight: 438.52424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N6O/c1-19-9-10-21(17-20(19)2)24-23(18-32(29-24)22-7-4-3-5-8-22)25(33)30-13-15-31(16-14-30)26-27-11-6-12-28-26/h3-12,17-18H,13-16H2,1-2H3