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

Systemtic Name: N-butyl-N-[2-[[2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-butyl-3-nitro-N-[2-oxo-2-[[5-phenyl-2-(p-tolyl)pyrazol-3-yl]amino]ethyl]benzamide CAS Name: N-butyl-N-[2-[[2-(4-methylphenyl)-5-phenyl-3-pyrazolyl]amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-butyl-N-[2-[[2-(4-methylphenyl)-5-phenylpyrazol-3-yl]amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-butyl-N-[2-keto-2-[[5-phenyl-2-(p-tolyl)pyrazol-3-yl]amino]ethyl]-3-nitro-benzamide Formula: C29H29N5O4 MolecularWeight: 511.57166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29N5O4/c1-3-4-17-32(29(36)23-11-8-12-25(18-23)34(37)38)20-28(35)30-27-19-26(22-9-6-5-7-10-22)31-33(27)24-15-13-21(2)14-16-24/h5-16,18-19H,3-4,17,20H2,1-2H3,(H,30,35)