4-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-7-bromanyl-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 4-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-7-bromanyl-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 4-(2-amino-1-benzyl-2-oxo-ethyl)-7-bromo-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 4-(1-amino-1-oxo-3-phenylpropan-2-yl)-7-bromo-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 4-(1-amino-1-oxo-3-phenylpropan-2-yl)-7-bromo-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 4-(2-amino-1-benzyl-2-keto-ethyl)-7-bromo-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C22H23BrN2O5 MolecularWeight: 475.33242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Br)C(=O)O)C(CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Br)C(=O)O)C(CC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C22H23BrN2O5/c1-12(2)19-21(27)25(16(20(24)26)10-13-6-4-3-5-7-13)18(22(28)29)15-11-14(23)8-9-17(15)30-19/h3-9,11-12,16,18-19H,10H2,1-2H3,(H2,24,26)(H,28,29)