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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)NC1=C(C(=NN1C2=CC=CC=C2C)C)C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC(=O)NC1=C(C(=NN1C2=CC=CC=C2C)C)C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

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