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

Systemtic Name: N-butyl-N-[2-[[5-methyl-2-(4-methylphenyl)-4-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-4-nitro-benzamide Openeye Name: N-butyl-N-[2-[[5-methyl-4-phenyl-2-(p-tolyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-4-nitro-benzamide CAS Name: N-butyl-N-[2-[[5-methyl-2-(4-methylphenyl)-4-phenyl-3-pyrazolyl]amino]-2-oxoethyl]-4-nitrobenzamide IUPAC Name: N-butyl-N-[2-[[5-methyl-2-(4-methylphenyl)-4-phenylpyrazol-3-yl]amino]-2-oxoethyl]-4-nitrobenzamide Traditional Name: N-butyl-N-[2-keto-2-[[5-methyl-4-phenyl-2-(p-tolyl)pyrazol-3-yl]amino]ethyl]-4-nitro-benzamide Formula: C30H31N5O4 MolecularWeight: 525.59824

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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)[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)[N+](=O)[O-]

InChI

InChI=1S/C30H31N5O4/c1-4-5-19-33(30(37)24-13-17-26(18-14-24)35(38)39)20-27(36)31-29-28(23-9-7-6-8-10-23)22(3)32-34(29)25-15-11-21(2)12-16-25/h6-18H,4-5,19-20H2,1-3H3,(H,31,36)