(E)-3-(5-bromanyl-2-fluoranyl-phenyl)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-fluoranyl-phenyl)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-fluoro-phenyl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-fluorophenyl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)-2-cyano-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acrylamide Formula: C21H16BrFN4O2 MolecularWeight: 455.279743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=CC3=C(C=CC(=C3)Br)F)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=C(C=CC(=C3)Br)F)/C#N

InChI

InChI=1S/C21H16BrFN4O2/c1-13-19(21(29)27(26(13)2)17-6-4-3-5-7-17)25-20(28)15(12-24)10-14-11-16(22)8-9-18(14)23/h3-11H,1-2H3,(H,25,28)/b15-10+