ethyl 4-[2-[(1-oxidanylidene-2H-isoquinolin-5-yl)oxy]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(1-oxidanylidene-2H-isoquinolin-5-yl)oxy]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(1-keto-2H-isoquinolin-5-yl)oxy]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H21N3O5 MolecularWeight: 359.37644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)COC2=CC=CC3=C2C=CNC3=O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)COC2=CC=CC3=C2C=CNC3=O

InChI

InChI=1S/C18H21N3O5/c1-2-25-18(24)21-10-8-20(9-11-21)16(22)12-26-15-5-3-4-14-13(15)6-7-19-17(14)23/h3-7H,2,8-12H2,1H3,(H,19,23)