(E)-3-[1-(2-azanyl-2-oxidanylidene-ethyl)indol-3-yl]-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide

Systemtic Name: (E)-3-[1-(2-azanyl-2-oxidanylidene-ethyl)indol-3-yl]-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide Openeye Name: (E)-3-[1-(2-amino-2-oxo-ethyl)indol-3-yl]-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide CAS Name: (E)-3-[1-(2-amino-2-oxoethyl)-3-indolyl]-2-cyano-N-(2,4-dimethylphenyl)-2-propenamide IUPAC Name: (E)-3-[1-(2-amino-2-oxoethyl)indol-3-yl]-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide Traditional Name: (E)-3-[1-(2-amino-2-keto-ethyl)indol-3-yl]-2-cyano-N-(2,4-dimethylphenyl)acrylamide Formula: C22H20N4O2 MolecularWeight: 372.4198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)N)/C#N)C

InChI

InChI=1S/C22H20N4O2/c1-14-7-8-19(15(2)9-14)25-22(28)16(11-23)10-17-12-26(13-21(24)27)20-6-4-3-5-18(17)20/h3-10,12H,13H2,1-2H3,(H2,24,27)(H,25,28)/b16-10+