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

Systemtic Name: (E)-3-[1-(2-azanyl-2-oxidanylidene-ethyl)indol-3-yl]-2-cyano-N-(4-ethanoylphenyl)prop-2-enamide Openeye Name: (E)-N-(4-acetylphenyl)-3-[1-(2-amino-2-oxo-ethyl)indol-3-yl]-2-cyano-prop-2-enamide CAS Name: (E)-N-(4-acetylphenyl)-3-[1-(2-amino-2-oxoethyl)-3-indolyl]-2-cyano-2-propenamide IUPAC Name: (E)-N-(4-acetylphenyl)-3-[1-(2-amino-2-oxoethyl)indol-3-yl]-2-cyanoprop-2-enamide Traditional Name: (E)-N-(4-acetylphenyl)-3-[1-(2-amino-2-keto-ethyl)indol-3-yl]-2-cyano-acrylamide Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O3/c1-14(27)15-6-8-18(9-7-15)25-22(29)16(11-23)10-17-12-26(13-21(24)28)20-5-3-2-4-19(17)20/h2-10,12H,13H2,1H3,(H2,24,28)(H,25,29)/b16-10+