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

Systemtic Name: [3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Openeye Name: [3-(m-tolyl)-1-phenyl-pyrazol-4-yl]-[4-(4-pyridylmethyl)piperazin-1-yl]methanone CAS Name: [3-(3-methylphenyl)-1-phenyl-4-pyrazolyl]-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methanone IUPAC Name: [3-(3-methylphenyl)-1-phenylpyrazol-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Traditional Name: [3-(m-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(=C1)C2=NN(C=C2C(=O)N3CCN(CC3)CC4=CC=NC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)N3CCN(CC3)CC4=CC=NC=C4)C5=CC=CC=C5

InChI

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