N-butyl-4-methyl-N-[2-[[5-methyl-2-(4-methylphenyl)-4-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-butyl-4-methyl-N-[2-[[5-methyl-2-(4-methylphenyl)-4-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-butyl-4-methyl-N-[2-[[5-methyl-4-phenyl-2-(p-tolyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-butyl-4-methyl-N-[2-[[5-methyl-2-(4-methylphenyl)-4-phenyl-3-pyrazolyl]amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-butyl-4-methyl-N-[2-[[5-methyl-2-(4-methylphenyl)-4-phenylpyrazol-3-yl]amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-butyl-N-[2-keto-2-[[5-methyl-4-phenyl-2-(p-tolyl)pyrazol-3-yl]amino]ethyl]-4-methyl-3-nitro-benzamide Formula: C31H33N5O4 MolecularWeight: 539.62482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)NC1=C(C(=NN1C2=CC=C(C=C2)C)C)C3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC(=O)NC1=C(C(=NN1C2=CC=C(C=C2)C)C)C3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C31H33N5O4/c1-5-6-18-34(31(38)25-15-14-22(3)27(19-25)36(39)40)20-28(37)32-30-29(24-10-8-7-9-11-24)23(4)33-35(30)26-16-12-21(2)13-17-26/h7-17,19H,5-6,18,20H2,1-4H3,(H,32,37)