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

Systemtic Name: 3-(4-butoxyphenyl)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)prop-2-enamide Openeye Name: 3-(4-butoxyphenyl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)prop-2-enamide CAS Name: 3-(4-butoxyphenyl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: 3-(4-butoxyphenyl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: 3-(4-butoxyphenyl)-2-cyano-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acrylamide Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C25H26N4O3/c1-4-5-15-32-22-13-11-19(12-14-22)16-20(17-26)24(30)27-23-18(2)28(3)29(25(23)31)21-9-7-6-8-10-21/h6-14,16H,4-5,15H2,1-3H3,(H,27,30)