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

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

Click to see the large picture

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=C(C=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=C(C=C4)[N+](=O)[O-]

InChI

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