methyl N-[1-oxidanylidene-2-(pyridin-3-ylmethyl)isoquinolin-4-yl]carbamate

Systemtic Name: methyl N-[1-oxidanylidene-2-(pyridin-3-ylmethyl)isoquinolin-4-yl]carbamate Openeye Name: methyl N-[1-oxo-2-(3-pyridylmethyl)-4-isoquinolyl]carbamate CAS Name: N-[1-oxo-2-(3-pyridinylmethyl)-4-isoquinolinyl]carbamic acid methyl ester IUPAC Name: methyl N-[1-oxo-2-(pyridin-3-ylmethyl)isoquinolin-4-yl]carbamate Traditional Name: N-[1-keto-2-(3-pyridylmethyl)-4-isoquinolyl]carbamic acid methyl ester Formula: C17H15N3O3 MolecularWeight: 309.3193

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=CN(C(=O)C2=CC=CC=C21)CC3=CN=CC=C3

Isomeric SMILES

COC(=O)NC1=CN(C(=O)C2=CC=CC=C21)CC3=CN=CC=C3

InChI

InChI=1S/C17H15N3O3/c1-23-17(22)19-15-11-20(10-12-5-4-8-18-9-12)16(21)14-7-3-2-6-13(14)15/h2-9,11H,10H2,1H3,(H,19,22)