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

Systemtic Name: 7-chloranyl-4-[(4-dimethylaminophenyl)methyl]-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 7-chloro-4-[(4-dimethylaminophenyl)methyl]-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 7-chloro-4-[(4-dimethylaminophenyl)methyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 7-chloro-4-[(4-dimethylaminophenyl)methyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 7-chloro-4-[4-(dimethylamino)benzyl]-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O4/c1-13(2)20-21(26)25(12-14-5-8-16(9-6-14)24(3)4)19(22(27)28)17-11-15(23)7-10-18(17)29-20/h5-11,13,19-20H,12H2,1-4H3,(H,27,28)