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

Systemtic Name: pyridin-4-ylmethyl 2-(4-fluorophenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: 4-pyridylmethyl 2-(4-fluorophenyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-(4-fluorophenyl)-1-oxo-4-isoquinolinecarboxylic acid pyridin-4-ylmethyl ester IUPAC Name: pyridin-4-ylmethyl 2-(4-fluorophenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)-1-keto-isoquinoline-4-carboxylic acid 4-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=C(C=C3)F)C(=O)OCC4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN(C2=O)C3=CC=C(C=C3)F)C(=O)OCC4=CC=NC=C4

InChI

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