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

Systemtic Name: (E)-3-(4-acetamidophenyl)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-3-(4-acetamidophenyl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)prop-2-enamide CAS Name: (E)-3-(4-acetamidophenyl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-3-(4-acetamidophenyl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-3-(4-acetamidophenyl)-2-cyano-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acrylamide Formula: C23H21N5O3 MolecularWeight: 415.44454

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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)NC(=O)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O3/c1-15-21(23(31)28(27(15)3)20-7-5-4-6-8-20)26-22(30)18(14-24)13-17-9-11-19(12-10-17)25-16(2)29/h4-13H,1-3H3,(H,25,29)(H,26,30)/b18-13+