1-[(2S)-2-azanyl-2-[3,4-bis(fluoranyl)phenyl]ethyl]azepan-2-one

Systemtic Name: 1-[(2S)-2-azanyl-2-[3,4-bis(fluoranyl)phenyl]ethyl]azepan-2-one Openeye Name: 1-[(2S)-2-amino-2-(3,4-difluorophenyl)ethyl]azepan-2-one CAS Name: 1-[(2S)-2-amino-2-(3,4-difluorophenyl)ethyl]-2-azepanone IUPAC Name: 1-[(2S)-2-amino-2-(3,4-difluorophenyl)ethyl]azepan-2-one Traditional Name: 1-[(2S)-2-amino-2-(3,4-difluorophenyl)ethyl]azepan-2-one Formula: C14H18F2N2O MolecularWeight: 268.302326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(C2=CC(=C(C=C2)F)F)N

Isomeric SMILES

C1CCC(=O)N(CC1)C[C@H](C2=CC(=C(C=C2)F)F)N

InChI

InChI=1S/C14H18F2N2O/c15-11-6-5-10(8-12(11)16)13(17)9-18-7-3-1-2-4-14(18)19/h5-6,8,13H,1-4,7,9,17H2/t13-/m1/s1