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

Systemtic Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(3-phenylmethoxyphenyl)prop-2-enamide Openeye Name: (E)-3-(3-benzyloxyphenyl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(3-phenylmethoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-phenylmethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(3-benzoxyphenyl)-2-cyano-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acrylamide Formula: C28H24N4O3 MolecularWeight: 464.51516

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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(=CC=C3)OCC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=CC(=CC=C3)OCC4=CC=CC=C4)/C#N

InChI

InChI=1S/C28H24N4O3/c1-20-26(28(34)32(31(20)2)24-13-7-4-8-14-24)30-27(33)23(18-29)16-22-12-9-15-25(17-22)35-19-21-10-5-3-6-11-21/h3-17H,19H2,1-2H3,(H,30,33)/b23-16+