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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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