ethyl 4-[(1-chloranylisoquinolin-3-yl)amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(1-chloranylisoquinolin-3-yl)amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(1-chloro-3-isoquinolyl)amino]piperidine-1-carboxylate CAS Name: 4-[(1-chloro-3-isoquinolinyl)amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1-chloroisoquinolin-3-yl)amino]piperidine-1-carboxylate Traditional Name: 4-[(1-chloro-3-isoquinolyl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C17H20ClN3O2 MolecularWeight: 333.8126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=CC3=CC=CC=C3C(=N2)Cl

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=CC3=CC=CC=C3C(=N2)Cl

InChI

InChI=1S/C17H20ClN3O2/c1-2-23-17(22)21-9-7-13(8-10-21)19-15-11-12-5-3-4-6-14(12)16(18)20-15/h3-6,11,13H,2,7-10H2,1H3,(H,19,20)