(E)-2-cyano-N-(2,6-dimethylphenyl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-(1,3-diphenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-(1,3-diphenylpyrazol-4-yl)acrylamide Formula: C27H22N4O MolecularWeight: 418.48978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C27H22N4O/c1-19-10-9-11-20(2)25(19)29-27(32)22(17-28)16-23-18-31(24-14-7-4-8-15-24)30-26(23)21-12-5-3-6-13-21/h3-16,18H,1-2H3,(H,29,32)/b22-16+