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

Systemtic Name: [2-(2,5-dimethylphenyl)-5-phenyl-pyrazol-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [2-(2,5-dimethylphenyl)-5-phenyl-pyrazol-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [2-(2,5-dimethylphenyl)-5-phenyl-3-pyrazolyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [2-(2,5-dimethylphenyl)-5-phenylpyrazol-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [2-(2,5-dimethylphenyl)-5-phenyl-pyrazol-3-yl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C28H27N5O3 MolecularWeight: 481.54568

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H27N5O3/c1-20-8-9-21(2)26(18-20)32-27(19-25(29-32)22-6-4-3-5-7-22)28(34)31-16-14-30(15-17-31)23-10-12-24(13-11-23)33(35)36/h3-13,18-19H,14-17H2,1-2H3