4-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-8-(diethylamino)-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 4-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-8-(diethylamino)-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 4-[(4-chloro-2-fluoro-phenyl)methyl]-8-(diethylamino)-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 4-[(4-chloro-2-fluorophenyl)methyl]-8-(diethylamino)-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 4-[(4-chloro-2-fluorophenyl)methyl]-8-(diethylamino)-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 4-(4-chloro-2-fluoro-benzyl)-8-(diethylamino)-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C24H28ClFN2O4 MolecularWeight: 462.941523

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(N(C(=O)C(O2)C(C)C)CC3=C(C=C(C=C3)Cl)F)C(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(N(C(=O)C(O2)C(C)C)CC3=C(C=C(C=C3)Cl)F)C(=O)O

InChI

InChI=1S/C24H28ClFN2O4/c1-5-27(6-2)17-9-10-18-20(12-17)32-22(14(3)4)23(29)28(21(18)24(30)31)13-15-7-8-16(25)11-19(15)26/h7-12,14,21-22H,5-6,13H2,1-4H3,(H,30,31)