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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

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