2-bromanyl-N-[4-[[7-chloranyl-5-[2-(2-morpholin-4-ylethylamino)-2-oxidanylidene-ethoxy]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]carbonyl]-2-methoxy-phenyl]benzamide

Systemtic Name: 2-bromanyl-N-[4-[[7-chloranyl-5-[2-(2-morpholin-4-ylethylamino)-2-oxidanylidene-ethoxy]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]carbonyl]-2-methoxy-phenyl]benzamide Openeye Name: 2-bromo-N-[4-[7-chloro-5-[2-(2-morpholinoethylamino)-2-oxo-ethoxy]-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-2-methoxy-phenyl]benzamide CAS Name: 2-bromo-N-[4-[[7-chloro-5-[2-[2-(4-morpholinyl)ethylamino]-2-oxoethoxy]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-oxomethyl]-2-methoxyphenyl]benzamide IUPAC Name: 2-bromo-N-[4-[7-chloro-5-[2-(2-morpholin-4-ylethylamino)-2-oxoethoxy]-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-2-methoxyphenyl]benzamide Traditional Name: 2-bromo-N-[4-[7-chloro-5-[2-keto-2-(2-morpholinoethylamino)ethoxy]-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-2-methoxy-phenyl]benzamide Formula: C33H36BrClN4O6 MolecularWeight: 700.01914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCCC(C3=C2C=CC(=C3)Cl)OCC(=O)NCCN4CCOCC4)NC(=O)C5=CC=CC=C5Br

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCCC(C3=C2C=CC(=C3)Cl)OCC(=O)NCCN4CCOCC4)NC(=O)C5=CC=CC=C5Br

InChI

InChI=1S/C33H36BrClN4O6/c1-43-30-19-22(8-10-27(30)37-32(41)24-5-2-3-6-26(24)34)33(42)39-13-4-7-29(25-20-23(35)9-11-28(25)39)45-21-31(40)36-12-14-38-15-17-44-18-16-38/h2-3,5-6,8-11,19-20,29H,4,7,12-18,21H2,1H3,(H,36,40)(H,37,41)