3,3-bis(fluoranyl)-1-(4-methoxyphenyl)-4,5-dihydroazepin-2-one

Systemtic Name: 3,3-bis(fluoranyl)-1-(4-methoxyphenyl)-4,5-dihydroazepin-2-one Openeye Name: 3,3-difluoro-1-(4-methoxyphenyl)-4,5-dihydroazepin-2-one CAS Name: 3,3-difluoro-1-(4-methoxyphenyl)-4,5-dihydroazepin-2-one IUPAC Name: 3,3-difluoro-1-(4-methoxyphenyl)-4,5-dihydroazepin-2-one Traditional Name: 3,3-difluoro-1-(4-methoxyphenyl)-4,5-dihydroazepin-2-one Formula: C13H13F2NO2 MolecularWeight: 253.244626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=CCCC(C2=O)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)N2C=CCCC(C2=O)(F)F

InChI

InChI=1S/C13H13F2NO2/c1-18-11-6-4-10(5-7-11)16-9-3-2-8-13(14,15)12(16)17/h3-7,9H,2,8H2,1H3