N-[(5-bromanyl-2-methoxy-phenyl)methyl]-2-(2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl)ethanamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-2-(2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl)ethanamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-2-(2-keto-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC(=O)CN2C(=O)CCCC3=CC=CC=C32

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC(=O)CN2C(=O)CCCC3=CC=CC=C32

InChI

InChI=1S/C20H21BrN2O3/c1-26-18-10-9-16(21)11-15(18)12-22-19(24)13-23-17-7-3-2-5-14(17)6-4-8-20(23)25/h2-3,5,7,9-11H,4,6,8,12-13H2,1H3,(H,22,24)