ethyl 4-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(2-methyl-1-oxo-isoquinoline-4-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(2-methyl-1-oxo-4-isoquinolinyl)-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methyl-1-oxoisoquinoline-4-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(1-keto-2-methyl-isoquinoline-4-carbonyl)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)C2=CN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C18H21N3O4/c1-3-25-18(24)21-10-8-20(9-11-21)17(23)15-12-19(2)16(22)14-7-5-4-6-13(14)15/h4-7,12H,3,8-11H2,1-2H3