7-(5-bromanylpyridin-3-yl)carbonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

Systemtic Name: 7-(5-bromanylpyridin-3-yl)carbonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 7-(5-bromopyridine-3-carbonyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 7-[(5-bromo-3-pyridinyl)-oxomethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 7-(5-bromopyridine-3-carbonyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 7-(5-bromonicotinoyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C16H13BrN2O2 MolecularWeight: 345.19062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(=O)C3=CC(=CN=C3)Br)NC(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2)C(=O)C3=CC(=CN=C3)Br)NC(=O)C1

InChI

InChI=1S/C16H13BrN2O2/c17-13-7-12(8-18-9-13)16(21)11-4-5-14-10(6-11)2-1-3-15(20)19-14/h4-9H,1-3H2,(H,19,20)