pyridin-2-ylmethyl 2-(4-fluorophenyl)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: pyridin-2-ylmethyl 2-(4-fluorophenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: 2-pyridylmethyl 2-(4-fluorophenyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-(4-fluorophenyl)-1-oxo-4-isoquinolinecarboxylic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 2-(4-fluorophenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)-1-keto-isoquinoline-4-carboxylic acid 2-pyridylmethyl ester Formula: C22H15FN2O3 MolecularWeight: 374.364503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN(C2=O)C3=CC=C(C=C3)F)C(=O)OCC4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN(C2=O)C3=CC=C(C=C3)F)C(=O)OCC4=CC=CC=N4

InChI

InChI=1S/C22H15FN2O3/c23-15-8-10-17(11-9-15)25-13-20(18-6-1-2-7-19(18)21(25)26)22(27)28-14-16-5-3-4-12-24-16/h1-13H,14H2