[1-cyano-2-(phenylcarbonyl)-1H-isoquinolin-7-yl] benzoate

Systemtic Name: [1-cyano-2-(phenylcarbonyl)-1H-isoquinolin-7-yl] benzoate Openeye Name: (2-benzoyl-1-cyano-1H-isoquinolin-7-yl) benzoate CAS Name: benzoic acid (2-benzoyl-1-cyano-1H-isoquinolin-7-yl) ester IUPAC Name: (2-benzoyl-1-cyano-1H-isoquinolin-7-yl) benzoate Traditional Name: benzoic acid (2-benzoyl-1-cyano-1H-isoquinolin-7-yl) ester Formula: C24H16N2O3 MolecularWeight: 380.39544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C=CC3=C(C2C#N)C=C(C=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C=CC3=C(C2C#N)C=C(C=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H16N2O3/c25-16-22-21-15-20(29-24(28)19-9-5-2-6-10-19)12-11-17(21)13-14-26(22)23(27)18-7-3-1-4-8-18/h1-15,22H