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

Systemtic Name: N-butyl-N-[2-[[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-butyl-N-[2-[[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-butyl-N-[2-[[2-(4-fluorophenyl)-5-phenyl-3-pyrazolyl]amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-butyl-N-[2-[[2-(4-fluorophenyl)-5-phenylpyrazol-3-yl]amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-butyl-N-[2-[[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-keto-ethyl]-3-nitro-benzamide Formula: C28H26FN5O4 MolecularWeight: 515.535543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26FN5O4/c1-2-3-16-32(28(36)21-10-7-11-24(17-21)34(37)38)19-27(35)30-26-18-25(20-8-5-4-6-9-20)31-33(26)23-14-12-22(29)13-15-23/h4-15,17-18H,2-3,16,19H2,1H3,(H,30,35)