phenyl 1-cyano-1H-isoquinoline-2-carboxylate

Systemtic Name: phenyl 1-cyano-1H-isoquinoline-2-carboxylate Openeye Name: phenyl 1-cyano-1H-isoquinoline-2-carboxylate CAS Name: 1-cyano-1H-isoquinoline-2-carboxylic acid phenyl ester IUPAC Name: phenyl 1-cyano-1H-isoquinoline-2-carboxylate Traditional Name: 1-cyano-1H-isoquinoline-2-carboxylic acid phenyl ester Formula: C17H12N2O2 MolecularWeight: 276.28938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)N2C=CC3=CC=CC=C3C2C#N

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)N2C=CC3=CC=CC=C3C2C#N

InChI

InChI=1S/C17H12N2O2/c18-12-16-15-9-5-4-6-13(15)10-11-19(16)17(20)21-14-7-2-1-3-8-14/h1-11,16H