[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]methanone CAS Name: [2-(2,4-dimethylphenyl)-5-phenyl-3-pyrazolyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[2-(2,4-dimethylphenyl)-5-phenylpyrazol-3-yl]methanone Traditional Name: (4-benzylpiperazino)-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]methanone Formula: C29H30N4O MolecularWeight: 450.5747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C29H30N4O/c1-22-13-14-27(23(2)19-22)33-28(20-26(30-33)25-11-7-4-8-12-25)29(34)32-17-15-31(16-18-32)21-24-9-5-3-6-10-24/h3-14,19-20H,15-18,21H2,1-2H3