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

Systemtic Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(2,4-dipropoxyphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(2,4-dipropoxyphenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(2,4-dipropoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2,4-dipropoxyphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(2,4-dipropoxyphenyl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acrylamide Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C=C(C#N)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)OCCC

Isomeric SMILES

CCCOC1=CC(=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)OCCC

InChI

InChI=1S/C27H30N4O4/c1-5-14-34-23-13-12-20(24(17-23)35-15-6-2)16-21(18-28)26(32)29-25-19(3)30(4)31(27(25)33)22-10-8-7-9-11-22/h7-13,16-17H,5-6,14-15H2,1-4H3,(H,29,32)/b21-16+