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

Systemtic Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(4-octoxyphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(4-octoxyphenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(4-octoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-octoxyphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(4-octoxyphenyl)acrylamide Formula: C29H34N4O3 MolecularWeight: 486.60526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCCCCCCCOC1=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/C29H34N4O3/c1-4-5-6-7-8-12-19-36-26-17-15-23(16-18-26)20-24(21-30)28(34)31-27-22(2)32(3)33(29(27)35)25-13-10-9-11-14-25/h9-11,13-18,20H,4-8,12,19H2,1-3H3,(H,31,34)/b24-20+