ethyl 4-(1-chloranylisoquinolin-3-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(1-chloranylisoquinolin-3-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(1-chloro-3-isoquinolyl)piperazine-1-carboxylate CAS Name: 4-(1-chloro-3-isoquinolinyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-chloroisoquinolin-3-yl)piperazine-1-carboxylate Traditional Name: 4-(1-chloro-3-isoquinolyl)piperazine-1-carboxylic acid ethyl ester Formula: C16H18ClN3O2 MolecularWeight: 319.78602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O2/c1-2-22-16(21)20-9-7-19(8-10-20)14-11-12-5-3-4-6-13(12)15(17)18-14/h3-6,11H,2,7-10H2,1H3