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

Systemtic Name: (E)-2-cyano-3-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)indol-3-yl]-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-3-[1-(2-anilino-2-oxo-ethyl)indol-3-yl]-N-benzyl-2-cyano-prop-2-enamide CAS Name: (E)-3-[1-(2-anilino-2-oxoethyl)-3-indolyl]-2-cyano-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-3-[1-(2-anilino-2-oxoethyl)indol-3-yl]-N-benzyl-2-cyanoprop-2-enamide Traditional Name: (E)-3-[1-(2-anilino-2-keto-ethyl)indol-3-yl]-N-benzyl-2-cyano-acrylamide Formula: C27H22N4O2 MolecularWeight: 434.48918

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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)NC4=CC=CC=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H22N4O2/c28-16-21(27(33)29-17-20-9-3-1-4-10-20)15-22-18-31(25-14-8-7-13-24(22)25)19-26(32)30-23-11-5-2-6-12-23/h1-15,18H,17,19H2,(H,29,33)(H,30,32)/b21-15+