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

Systemtic Name: [2-(2,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)pyrazol-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [2-(2,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)pyrazol-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [2-(2,5-dimethylphenyl)-5-(1-methyl-2-pyrrolyl)-3-pyrazolyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [2-(2,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)pyrazol-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [2-(2,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)pyrazol-3-yl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C27H28N6O3 MolecularWeight: 484.54962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=CC(=N2)C3=CC=CN3C)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=CN3C)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H28N6O3/c1-19-6-7-20(2)25(17-19)32-26(18-23(28-32)24-5-4-12-29(24)3)27(34)31-15-13-30(14-16-31)21-8-10-22(11-9-21)33(35)36/h4-12,17-18H,13-16H2,1-3H3