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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CCN(CC3)C4=NC=CC=N4)CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CCN(CC3)C4=NC=CC=N4)CC5=CC=CC=C5

InChI

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