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

Systemtic Name: (E)-2-cyano-N-(2,3-dimethylphenyl)-3-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)indol-3-yl]prop-2-enamide Openeye Name: (E)-3-[1-(2-anilino-2-oxo-ethyl)indol-3-yl]-2-cyano-N-(2,3-dimethylphenyl)prop-2-enamide CAS Name: (E)-3-[1-(2-anilino-2-oxoethyl)-3-indolyl]-2-cyano-N-(2,3-dimethylphenyl)-2-propenamide IUPAC Name: (E)-3-[1-(2-anilino-2-oxoethyl)indol-3-yl]-2-cyano-N-(2,3-dimethylphenyl)prop-2-enamide Traditional Name: (E)-3-[1-(2-anilino-2-keto-ethyl)indol-3-yl]-2-cyano-N-(2,3-dimethylphenyl)acrylamide Formula: C28H24N4O2 MolecularWeight: 448.51576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)NC4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)NC4=CC=CC=C4)/C#N)C

InChI

InChI=1S/C28H24N4O2/c1-19-9-8-13-25(20(19)2)31-28(34)21(16-29)15-22-17-32(26-14-7-6-12-24(22)26)18-27(33)30-23-10-4-3-5-11-23/h3-15,17H,18H2,1-2H3,(H,30,33)(H,31,34)/b21-15+