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

Systemtic Name: (E)-3-[1-(2-azanyl-2-oxidanylidene-ethyl)indol-3-yl]-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-3-[1-(2-amino-2-oxo-ethyl)indol-3-yl]-N-benzyl-2-cyano-prop-2-enamide CAS Name: (E)-3-[1-(2-amino-2-oxoethyl)-3-indolyl]-2-cyano-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-3-[1-(2-amino-2-oxoethyl)indol-3-yl]-N-benzyl-2-cyanoprop-2-enamide Traditional Name: (E)-3-[1-(2-amino-2-keto-ethyl)indol-3-yl]-N-benzyl-2-cyano-acrylamide Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O2/c22-11-16(21(27)24-12-15-6-2-1-3-7-15)10-17-13-25(14-20(23)26)19-9-5-4-8-18(17)19/h1-10,13H,12,14H2,(H2,23,26)(H,24,27)/b16-10+