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

Systemtic Name: [3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone CAS Name: [3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]-[4-(2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-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=CC=C4[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

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

InChI

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