(4-bromophenyl)methyl N-isoquinolin-5-ylcarbamate hydrochloride

Systemtic Name: (4-bromophenyl)methyl N-isoquinolin-5-ylcarbamate hydrochloride Openeye Name: (4-bromophenyl)methyl N-(5-isoquinolyl)carbamate hydrochloride CAS Name: N-(5-isoquinolinyl)carbamic acid (4-bromophenyl)methyl ester hydrochloride IUPAC Name: (4-bromophenyl)methyl N-isoquinolin-5-ylcarbamate hydrochloride Traditional Name: N-(5-isoquinolyl)carbamic acid (4-bromobenzyl) ester hydrochloride Formula: C17H14BrClN2O2 MolecularWeight: 393.66226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)OCC3=CC=C(C=C3)Br.Cl

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)OCC3=CC=C(C=C3)Br.Cl

InChI

InChI=1S/C17H13BrN2O2.ClH/c18-14-6-4-12(5-7-14)11-22-17(21)20-16-3-1-2-13-10-19-9-8-15(13)16;/h1-10H,11H2,(H,20,21);1H