2-cyano-3-[1-(cyanomethyl)indol-3-yl]-N-(2,4-dimethylphenyl)prop-2-enamide

Systemtic Name: 2-cyano-3-[1-(cyanomethyl)indol-3-yl]-N-(2,4-dimethylphenyl)prop-2-enamide Openeye Name: 2-cyano-3-[1-(cyanomethyl)indol-3-yl]-N-(2,4-dimethylphenyl)prop-2-enamide CAS Name: 2-cyano-3-[1-(cyanomethyl)-3-indolyl]-N-(2,4-dimethylphenyl)-2-propenamide IUPAC Name: 2-cyano-3-[1-(cyanomethyl)indol-3-yl]-N-(2,4-dimethylphenyl)prop-2-enamide Traditional Name: 2-cyano-3-[1-(cyanomethyl)indol-3-yl]-N-(2,4-dimethylphenyl)acrylamide Formula: C22H18N4O MolecularWeight: 354.40452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC#N)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC#N)C#N)C

InChI

InChI=1S/C22H18N4O/c1-15-7-8-20(16(2)11-15)25-22(27)17(13-24)12-18-14-26(10-9-23)21-6-4-3-5-19(18)21/h3-8,11-12,14H,10H2,1-2H3,(H,25,27)