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

Systemtic Name: 8-(diethylamino)-3-oxidanylidene-2-propan-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 8-(diethylamino)-2-isopropyl-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 8-(diethylamino)-3-oxo-2-propan-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 8-(diethylamino)-3-oxo-2-propan-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 8-(diethylamino)-2-isopropyl-3-keto-4-[3-(trifluoromethyl)benzyl]-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C25H29F3N2O4 MolecularWeight: 478.50397

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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=CC(=CC=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H29F3N2O4/c1-5-29(6-2)18-10-11-19-20(13-18)34-22(15(3)4)23(31)30(21(19)24(32)33)14-16-8-7-9-17(12-16)25(26,27)28/h7-13,15,21-22H,5-6,14H2,1-4H3,(H,32,33)