6-bromanyl-N-[(4-chlorophenyl)methyl]-4-oxidanyl-isoquinoline-3-carboxamide

Systemtic Name: 6-bromanyl-N-[(4-chlorophenyl)methyl]-4-oxidanyl-isoquinoline-3-carboxamide Openeye Name: 6-bromo-N-[(4-chlorophenyl)methyl]-4-hydroxy-isoquinoline-3-carboxamide CAS Name: 6-bromo-N-[(4-chlorophenyl)methyl]-4-hydroxy-3-isoquinolinecarboxamide IUPAC Name: 6-bromo-N-[(4-chlorophenyl)methyl]-4-hydroxyisoquinoline-3-carboxamide Traditional Name: 6-bromo-N-(4-chlorobenzyl)-4-hydroxy-isoquinoline-3-carboxamide Formula: C17H12BrClN2O2 MolecularWeight: 391.64638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=NC=C3C=CC(=CC3=C2O)Br)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=NC=C3C=CC(=CC3=C2O)Br)Cl

InChI

InChI=1S/C17H12BrClN2O2/c18-12-4-3-11-9-20-15(16(22)14(11)7-12)17(23)21-8-10-1-5-13(19)6-2-10/h1-7,9,22H,8H2,(H,21,23)