3-azanyl-6-[2,3-bis(fluoranyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)azepan-2-one

Systemtic Name: 3-azanyl-6-[2,3-bis(fluoranyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)azepan-2-one Openeye Name: 3-amino-6-(2,3-difluorophenyl)-1-(thiazol-2-ylmethyl)azepan-2-one CAS Name: 3-amino-6-(2,3-difluorophenyl)-1-(2-thiazolylmethyl)-2-azepanone IUPAC Name: 3-amino-6-(2,3-difluorophenyl)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one Traditional Name: 3-amino-6-(2,3-difluorophenyl)-1-(thiazol-2-ylmethyl)azepan-2-one Formula: C16H17F2N3OS MolecularWeight: 337.387486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(CC1C2=C(C(=CC=C2)F)F)CC3=NC=CS3)N

Isomeric SMILES

C1CC(C(=O)N(CC1C2=C(C(=CC=C2)F)F)CC3=NC=CS3)N

InChI

InChI=1S/C16H17F2N3OS/c17-12-3-1-2-11(15(12)18)10-4-5-13(19)16(22)21(8-10)9-14-20-6-7-23-14/h1-3,6-7,10,13H,4-5,8-9,19H2