7-bromanyl-9-methoxy-3-oxidanylidene-2-propan-2-yl-4-(pyridin-3-ylmethyl)-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 7-bromanyl-9-methoxy-3-oxidanylidene-2-propan-2-yl-4-(pyridin-3-ylmethyl)-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 7-bromo-2-isopropyl-9-methoxy-3-oxo-4-(3-pyridylmethyl)-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 7-bromo-9-methoxy-3-oxo-2-propan-2-yl-4-(3-pyridinylmethyl)-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 7-bromo-9-methoxy-3-oxo-2-propan-2-yl-4-(pyridin-3-ylmethyl)-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 7-bromo-2-isopropyl-3-keto-9-methoxy-4-(3-pyridylmethyl)-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C20H21BrN2O5 MolecularWeight: 449.29514

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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=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O5/c1-11(2)17-19(24)23(10-12-5-4-6-22-9-12)16(20(25)26)14-7-13(21)8-15(27-3)18(14)28-17/h4-9,11,16-17H,10H2,1-3H3,(H,25,26)