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

Systemtic Name: [3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [1-benzyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C27H28N6O MolecularWeight: 452.55082

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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)CC5=CC=CC=C5)C

Isomeric SMILES

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

InChI

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