(3S)-2-(5-bromanylpyridin-3-yl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-(5-bromanylpyridin-3-yl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(5-bromopyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(5-bromo-3-pyridinyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(5-bromopyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(5-bromonicotinoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C16H14BrN3O2 MolecularWeight: 360.20526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3O2/c17-13-5-12(7-19-8-13)16(22)20-9-11-4-2-1-3-10(11)6-14(20)15(18)21/h1-5,7-8,14H,6,9H2,(H2,18,21)/t14-/m0/s1