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

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

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

InChI

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