ethyl 4-(1-oxidanylidene-2H-isoquinolin-3-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(1-oxidanylidene-2H-isoquinolin-3-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(1-oxo-2H-isoquinolin-3-yl)piperazine-1-carboxylate CAS Name: 4-(1-oxo-2H-isoquinolin-3-yl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-oxo-2H-isoquinolin-3-yl)piperazine-1-carboxylate Traditional Name: 4-(1-keto-2H-isoquinolin-3-yl)piperazine-1-carboxylic acid ethyl ester Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C16H19N3O3/c1-2-22-16(21)19-9-7-18(8-10-19)14-11-12-5-3-4-6-13(12)15(20)17-14/h3-6,11H,2,7-10H2,1H3,(H,17,20)