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

Systemtic Name: (E)-3-(3-bromanyl-4-methoxy-phenyl)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-3-(3-bromo-4-methoxy-phenyl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)prop-2-enamide CAS Name: (E)-3-(3-bromo-4-methoxyphenyl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-3-(3-bromo-4-methoxyphenyl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-3-(3-bromo-4-methoxy-phenyl)-2-cyano-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acrylamide Formula: C22H19BrN4O3 MolecularWeight: 467.31526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrN4O3/c1-14-20(22(29)27(26(14)2)17-7-5-4-6-8-17)25-21(28)16(13-24)11-15-9-10-19(30-3)18(23)12-15/h4-12H,1-3H3,(H,25,28)/b16-11+