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

Systemtic Name: [3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C27H25N5O4 MolecularWeight: 483.5185

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C27H25N5O4/c1-36-24-9-5-6-20(18-24)26-25(19-31(28-26)22-7-3-2-4-8-22)27(33)30-16-14-29(15-17-30)21-10-12-23(13-11-21)32(34)35/h2-13,18-19H,14-17H2,1H3