[4-(6-nitropyridin-3-yl)piperazin-1-yl]-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methanone

Systemtic Name: [4-(6-nitropyridin-3-yl)piperazin-1-yl]-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methanone Openeye Name: (1-benzyl-3-phenyl-pyrazol-4-yl)-[4-(6-nitro-3-pyridyl)piperazin-1-yl]methanone CAS Name: [4-(6-nitro-3-pyridinyl)-1-piperazinyl]-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methanone IUPAC Name: (1-benzyl-3-phenylpyrazol-4-yl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Traditional Name: (1-benzyl-3-phenyl-pyrazol-4-yl)-[4-(6-nitro-3-pyridyl)piperazino]methanone Formula: C26H24N6O3 MolecularWeight: 468.50716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H24N6O3/c33-26(30-15-13-29(14-16-30)22-11-12-24(27-17-22)32(34)35)23-19-31(18-20-7-3-1-4-8-20)28-25(23)21-9-5-2-6-10-21/h1-12,17,19H,13-16,18H2