ethyl 4-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(1-oxo-2-isoquinolyl)acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1-oxoisoquinolin-2-yl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(1-keto-2-isoquinolyl)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN2C=CC3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN2C=CC3=CC=CC=C3C2=O

InChI

InChI=1S/C18H21N3O4/c1-2-25-18(24)20-11-9-19(10-12-20)16(22)13-21-8-7-14-5-3-4-6-15(14)17(21)23/h3-8H,2,9-13H2,1H3