[2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [4-(4-nitrophenyl)piperazin-1-yl]-[5-phenyl-2-(p-tolyl)pyrazol-3-yl]methanone CAS Name: [2-(4-methylphenyl)-5-phenyl-3-pyrazolyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [2-(4-methylphenyl)-5-phenylpyrazol-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [4-(4-nitrophenyl)piperazino]-[5-phenyl-2-(p-tolyl)pyrazol-3-yl]methanone Formula: C27H25N5O3 MolecularWeight: 467.5191

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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)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H25N5O3/c1-20-7-9-23(10-8-20)31-26(19-25(28-31)21-5-3-2-4-6-21)27(33)30-17-15-29(16-18-30)22-11-13-24(14-12-22)32(34)35/h2-14,19H,15-18H2,1H3