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

Systemtic Name: ethyl 1-methyl-4-(1-oxidanylidene-2H-isoquinolin-3-yl)piperazine-2-carboxylate Openeye Name: ethyl 1-methyl-4-(1-oxo-2H-isoquinolin-3-yl)piperazine-2-carboxylate CAS Name: 1-methyl-4-(1-oxo-2H-isoquinolin-3-yl)-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-4-(1-oxo-2H-isoquinolin-3-yl)piperazine-2-carboxylate Traditional Name: 4-(1-keto-2H-isoquinolin-3-yl)-1-methyl-piperazine-2-carboxylic acid ethyl ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1C)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CCOC(=O)C1CN(CCN1C)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C17H21N3O3/c1-3-23-17(22)14-11-20(9-8-19(14)2)15-10-12-6-4-5-7-13(12)16(21)18-15/h4-7,10,14H,3,8-9,11H2,1-2H3,(H,18,21)