(E)-2-cyano-N-(2,5-dimethoxyphenyl)-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(2,5-dimethoxyphenyl)-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(2,5-dimethoxyphenyl)-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-(2,5-dimethoxyphenyl)-3-(5-phenyl-1H-pyrazol-4-yl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(2,5-dimethoxyphenyl)-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(2,5-dimethoxyphenyl)-3-(5-phenyl-1H-pyrazol-4-yl)acrylamide Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C(=CC2=C(NN=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)/C(=C/C2=C(NN=C2)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C21H18N4O3/c1-27-17-8-9-19(28-2)18(11-17)24-21(26)15(12-22)10-16-13-23-25-20(16)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,23,25)(H,24,26)/b15-10+