7-[azanyl-(5-bromanylpyridin-3-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

Systemtic Name: 7-[azanyl-(5-bromanylpyridin-3-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 7-[amino-(5-bromo-3-pyridyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 7-[amino-(5-bromo-3-pyridinyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 7-[amino-(5-bromopyridin-3-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 7-[amino-(5-bromo-3-pyridyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C16H16BrN3O MolecularWeight: 346.22174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrN3O/c17-13-7-12(8-19-9-13)16(18)11-4-5-14-10(6-11)2-1-3-15(21)20-14/h4-9,16H,1-3,18H2,(H,20,21)