7-bromanyl-4-[(4-dimethylaminophenyl)methyl]-9-methoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 7-bromanyl-4-[(4-dimethylaminophenyl)methyl]-9-methoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 7-bromo-4-[(4-dimethylaminophenyl)methyl]-2-isopropyl-9-methoxy-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 7-bromo-4-[(4-dimethylaminophenyl)methyl]-9-methoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 7-bromo-4-[(4-dimethylaminophenyl)methyl]-9-methoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 7-bromo-4-[4-(dimethylamino)benzyl]-2-isopropyl-3-keto-9-methoxy-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C23H27BrN2O5 MolecularWeight: 491.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=CC(=CC(=C2O1)OC)Br)C(=O)O)CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=CC(=CC(=C2O1)OC)Br)C(=O)O)CC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C23H27BrN2O5/c1-13(2)20-22(27)26(12-14-6-8-16(9-7-14)25(3)4)19(23(28)29)17-10-15(24)11-18(30-5)21(17)31-20/h6-11,13,19-20H,12H2,1-5H3,(H,28,29)