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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=NN3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=NN3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C27H25N5O3/c33-27(30-17-15-29(16-18-30)20-21-7-3-1-4-8-21)26-19-25(22-9-5-2-6-10-22)28-31(26)23-11-13-24(14-12-23)32(34)35/h1-14,19H,15-18,20H2