(3S)-2-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(5-bromo-2-hydroxy-benzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(5-bromo-2-hydroxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(5-bromo-2-hydroxy-benzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C17H15BrN2O3 MolecularWeight: 375.2166

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=C(C=CC(=C3)Br)O)C(=O)N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)C3=C(C=CC(=C3)Br)O)C(=O)N

InChI

InChI=1S/C17H15BrN2O3/c18-12-5-6-15(21)13(8-12)17(23)20-9-11-4-2-1-3-10(11)7-14(20)16(19)22/h1-6,8,14,21H,7,9H2,(H2,19,22)/t14-/m0/s1