pyridin-2-ylmethyl 2-(3-fluorophenyl)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: pyridin-2-ylmethyl 2-(3-fluorophenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: 2-pyridylmethyl 2-(3-fluorophenyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-(3-fluorophenyl)-1-oxo-4-isoquinolinecarboxylic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 2-(3-fluorophenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-(3-fluorophenyl)-1-keto-isoquinoline-4-carboxylic acid 2-pyridylmethyl ester Formula: C22H15FN2O3 MolecularWeight: 374.364503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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