[3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: [3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Openeye Name: [3-(o-tolyl)-1-phenyl-pyrazol-4-yl]-[4-(4-pyridylmethyl)piperazin-1-yl]methanone CAS Name: [3-(2-methylphenyl)-1-phenyl-4-pyrazolyl]-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methanone IUPAC Name: [3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Traditional Name: [3-(o-tolyl)-1-phenyl-pyrazol-4-yl]-[4-(4-pyridylmethyl)piperazino]methanone Formula: C27H27N5O MolecularWeight: 437.53618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C(=O)N3CCN(CC3)CC4=CC=NC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2C(=O)N3CCN(CC3)CC4=CC=NC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O/c1-21-7-5-6-10-24(21)26-25(20-32(29-26)23-8-3-2-4-9-23)27(33)31-17-15-30(16-18-31)19-22-11-13-28-14-12-22/h2-14,20H,15-19H2,1H3