N-[2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methylamino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-2-keto-ethyl]-3-nitro-benzamide Formula: C25H20FN5O4 MolecularWeight: 473.455803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CNC(=O)CNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CNC(=O)CNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H20FN5O4/c26-20-11-9-17(10-12-20)24-19(16-30(29-24)21-6-2-1-3-7-21)14-27-23(32)15-28-25(33)18-5-4-8-22(13-18)31(34)35/h1-13,16H,14-15H2,(H,27,32)(H,28,33)