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

Systemtic Name: methyl 1-oxidanylidene-2-(pyridin-2-ylmethyl)isoquinoline-4-carboxylate Openeye Name: methyl 1-oxo-2-(2-pyridylmethyl)isoquinoline-4-carboxylate CAS Name: 1-oxo-2-(2-pyridinylmethyl)-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-4-carboxylate Traditional Name: 1-keto-2-(2-pyridylmethyl)isoquinoline-4-carboxylic acid methyl ester Formula: C17H14N2O3 MolecularWeight: 294.30466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)CC3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)CC3=CC=CC=N3

InChI

InChI=1S/C17H14N2O3/c1-22-17(21)15-11-19(10-12-6-4-5-9-18-12)16(20)14-8-3-2-7-13(14)15/h2-9,11H,10H2,1H3