(E)-2-cyano-N-(2-phenylethanoyl)-3-(quinolin-3-ylamino)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(2-phenylethanoyl)-3-(quinolin-3-ylamino)prop-2-enamide Openeye Name: (E)-2-cyano-N-(2-phenylacetyl)-3-(3-quinolylamino)prop-2-enamide CAS Name: (E)-2-cyano-N-(1-oxo-2-phenylethyl)-3-(3-quinolinylamino)-2-propenamide IUPAC Name: (E)-2-cyano-N-(2-phenylacetyl)-3-(quinolin-3-ylamino)prop-2-enamide Traditional Name: (E)-2-cyano-N-(2-phenylacetyl)-3-(3-quinolylamino)acrylamide Formula: C21H16N4O2 MolecularWeight: 356.37734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(=O)C(=CNC2=CC3=CC=CC=C3N=C2)C#N

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC(=O)/C(=C/NC2=CC3=CC=CC=C3N=C2)/C#N

InChI

InChI=1S/C21H16N4O2/c22-12-17(21(27)25-20(26)10-15-6-2-1-3-7-15)13-23-18-11-16-8-4-5-9-19(16)24-14-18/h1-9,11,13-14,23H,10H2,(H,25,26,27)/b17-13+