5-methyl-4-[[5-methyl-2-(4-methylphenyl)-3-oxidanylidene-1H-pyrazol-4-yl]-(3-nitrophenyl)methyl]-2-(4-methylphenyl)-4H-pyrazol-3-one

Systemtic Name: 5-methyl-4-[[5-methyl-2-(4-methylphenyl)-3-oxidanylidene-1H-pyrazol-4-yl]-(3-nitrophenyl)methyl]-2-(4-methylphenyl)-4H-pyrazol-3-one Openeye Name: 5-methyl-4-[[5-methyl-3-oxo-2-(p-tolyl)-1H-pyrazol-4-yl]-(3-nitrophenyl)methyl]-2-(p-tolyl)-4H-pyrazol-3-one CAS Name: 5-methyl-4-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]-(3-nitrophenyl)methyl]-2-(4-methylphenyl)-4H-pyrazol-3-one IUPAC Name: 5-methyl-4-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]-(3-nitrophenyl)methyl]-2-(4-methylphenyl)-4H-pyrazol-3-one Traditional Name: 4-[[5-keto-3-methyl-1-(p-tolyl)-3-pyrazolin-4-yl]-(3-nitrophenyl)methyl]-5-methyl-2-(p-tolyl)-2-pyrazolin-3-one Formula: C29H27N5O4 MolecularWeight: 509.55578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(C(=N2)C)C(C3=CC(=CC=C3)[N+](=O)[O-])C4=C(NN(C4=O)C5=CC=C(C=C5)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(C(=N2)C)C(C3=CC(=CC=C3)[N+](=O)[O-])C4=C(NN(C4=O)C5=CC=C(C=C5)C)C

InChI

InChI=1S/C29H27N5O4/c1-17-8-12-22(13-9-17)32-28(35)25(19(3)30-32)27(21-6-5-7-24(16-21)34(37)38)26-20(4)31-33(29(26)36)23-14-10-18(2)11-15-23/h5-16,25,27,31H,1-4H3