2-[7-chloranyl-5-(2-chlorophenyl)-1-(cyclohexylmethyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoate

Systemtic Name: 2-[7-chloranyl-5-(2-chlorophenyl)-1-(cyclohexylmethyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoate Openeye Name: 2-[7-chloro-5-(2-chlorophenyl)-1-(cyclohexylmethyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetate CAS Name: 2-[7-chloro-5-(2-chlorophenyl)-1-(cyclohexylmethyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetate IUPAC Name: 2-[7-chloro-5-(2-chlorophenyl)-1-(cyclohexylmethyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetate Traditional Name: 2-[7-chloro-5-(2-chlorophenyl)-1-(cyclohexylmethyl)-2-keto-5H-4,1-benzoxazepin-3-yl]acetate Formula: C24H24Cl2NO4- MolecularWeight: 461.35766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C3=C(C=C(C=C3)Cl)C(OC(C2=O)CC(=O)[O-])C4=CC=CC=C4Cl

Isomeric SMILES

C1CCC(CC1)CN2C3=C(C=C(C=C3)Cl)C(OC(C2=O)CC(=O)[O-])C4=CC=CC=C4Cl

InChI

InChI=1S/C24H25Cl2NO4/c25-16-10-11-20-18(12-16)23(17-8-4-5-9-19(17)26)31-21(13-22(28)29)24(30)27(20)14-15-6-2-1-3-7-15/h4-5,8-12,15,21,23H,1-3,6-7,13-14H2,(H,28,29)/p-1