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

Systemtic Name: (E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acrylamide Formula: C23H22N4O4 MolecularWeight: 418.44518

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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)OC)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O4/c1-15-20(23(29)27(26(15)2)18-10-6-5-7-11-18)25-22(28)17(14-24)13-16-9-8-12-19(30-3)21(16)31-4/h5-13H,1-4H3,(H,25,28)/b17-13+