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

Systemtic Name: 7-chloranyl-4-[3-(diethylamino)propyl]-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 7-chloro-4-[3-(diethylamino)propyl]-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 7-chloro-4-[3-(diethylamino)propyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 7-chloro-4-[3-(diethylamino)propyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 7-chloro-4-[3-(diethylamino)propyl]-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C20H29ClN2O4 MolecularWeight: 396.90826

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCN1C(C2=C(C=CC(=C2)Cl)OC(C1=O)C(C)C)C(=O)O

Isomeric SMILES

CCN(CC)CCCN1C(C2=C(C=CC(=C2)Cl)OC(C1=O)C(C)C)C(=O)O

InChI

InChI=1S/C20H29ClN2O4/c1-5-22(6-2)10-7-11-23-17(20(25)26)15-12-14(21)8-9-16(15)27-18(13(3)4)19(23)24/h8-9,12-13,17-18H,5-7,10-11H2,1-4H3,(H,25,26)