2-[7-[2,4-bis(fluoranyl)phenyl]-3-[1-(4-fluorophenyl)ethyl]-2-oxidanylidene-1,3-oxazepan-7-yl]ethyl carbamate

Systemtic Name: 2-[7-[2,4-bis(fluoranyl)phenyl]-3-[1-(4-fluorophenyl)ethyl]-2-oxidanylidene-1,3-oxazepan-7-yl]ethyl carbamate Openeye Name: 2-[7-(2,4-difluorophenyl)-3-[1-(4-fluorophenyl)ethyl]-2-oxo-1,3-oxazepan-7-yl]ethyl carbamate CAS Name: carbamic acid 2-[7-(2,4-difluorophenyl)-3-[1-(4-fluorophenyl)ethyl]-2-oxo-1,3-oxazepan-7-yl]ethyl ester IUPAC Name: 2-[7-(2,4-difluorophenyl)-3-[1-(4-fluorophenyl)ethyl]-2-oxo-1,3-oxazepan-7-yl]ethyl carbamate Traditional Name: carbamic acid 2-[7-(2,4-difluorophenyl)-3-[1-(4-fluorophenyl)ethyl]-2-keto-1,3-oxazepan-7-yl]ethyl ester Formula: C22H23F3N2O4 MolecularWeight: 436.42423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)N2CCCC(OC2=O)(CCOC(=O)N)C3=C(C=C(C=C3)F)F

Isomeric SMILES

CC(C1=CC=C(C=C1)F)N2CCCC(OC2=O)(CCOC(=O)N)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C22H23F3N2O4/c1-14(15-3-5-16(23)6-4-15)27-11-2-9-22(31-21(27)29,10-12-30-20(26)28)18-8-7-17(24)13-19(18)25/h3-8,13-14H,2,9-12H2,1H3,(H2,26,28)