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

Systemtic Name: N-butyl-N-[2-[[2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-butyl-N-[2-[[2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-butyl-N-[2-[[2-(2-chlorophenyl)-5-phenyl-3-pyrazolyl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-butyl-N-[2-[[2-(2-chlorophenyl)-5-phenylpyrazol-3-yl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-butyl-N-[2-[[2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-keto-ethyl]-4-methyl-3-nitro-benzamide Formula: C29H28ClN5O4 MolecularWeight: 546.01672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2Cl)C3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2Cl)C3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C29H28ClN5O4/c1-3-4-16-33(29(37)22-15-14-20(2)26(17-22)35(38)39)19-28(36)31-27-18-24(21-10-6-5-7-11-21)32-34(27)25-13-9-8-12-23(25)30/h5-15,17-18H,3-4,16,19H2,1-2H3,(H,31,36)