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

Systemtic Name: 4-[(2-chlorophenyl)methyl]-8-(diethylamino)-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 4-[(2-chlorophenyl)methyl]-8-(diethylamino)-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 4-[(2-chlorophenyl)methyl]-8-(diethylamino)-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 4-[(2-chlorophenyl)methyl]-8-(diethylamino)-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 4-(2-chlorobenzyl)-8-(diethylamino)-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C24H29ClN2O4 MolecularWeight: 444.95106

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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=C3Cl)C(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(N(C(=O)C(O2)C(C)C)CC3=CC=CC=C3Cl)C(=O)O

InChI

InChI=1S/C24H29ClN2O4/c1-5-26(6-2)17-11-12-18-20(13-17)31-22(15(3)4)23(28)27(21(18)24(29)30)14-16-9-7-8-10-19(16)25/h7-13,15,21-22H,5-6,14H2,1-4H3,(H,29,30)