ethyl 4-[2-(3-methyl-1-oxidanylidene-isoquinolin-2-yl)ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(3-methyl-1-oxidanylidene-isoquinolin-2-yl)ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3-methyl-1-oxo-2-isoquinolyl)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(3-methyl-1-oxo-2-isoquinolinyl)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(1-keto-3-methyl-2-isoquinolyl)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4/c1-3-26-19(25)21-10-8-20(9-11-21)17(23)13-22-14(2)12-15-6-4-5-7-16(15)18(22)24/h4-7,12H,3,8-11,13H2,1-2H3