ethyl 3-(1H-benzimidazol-2-ylamino)-4,5-bis(fluoranyl)azepane-1-carboxylate

Systemtic Name: ethyl 3-(1H-benzimidazol-2-ylamino)-4,5-bis(fluoranyl)azepane-1-carboxylate Openeye Name: ethyl 3-(1H-benzimidazol-2-ylamino)-4,5-difluoro-azepane-1-carboxylate CAS Name: 3-(1H-benzimidazol-2-ylamino)-4,5-difluoro-1-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(1H-benzimidazol-2-ylamino)-4,5-difluoroazepane-1-carboxylate Traditional Name: 3-(1H-benzimidazol-2-ylamino)-4,5-difluoro-azepane-1-carboxylic acid ethyl ester Formula: C16H20F2N4O2 MolecularWeight: 338.352406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(C(C(C1)NC2=NC3=CC=CC=C3N2)F)F

Isomeric SMILES

CCOC(=O)N1CCC(C(C(C1)NC2=NC3=CC=CC=C3N2)F)F

InChI

InChI=1S/C16H20F2N4O2/c1-2-24-16(23)22-8-7-10(17)14(18)13(9-22)21-15-19-11-5-3-4-6-12(11)20-15/h3-6,10,13-14H,2,7-9H2,1H3,(H2,19,20,21)