3-[[2-(trifluoromethyloxy)phenyl]methylamino]azepan-2-one

Systemtic Name: 3-[[2-(trifluoromethyloxy)phenyl]methylamino]azepan-2-one Openeye Name: 3-[[2-(trifluoromethoxy)phenyl]methylamino]azepan-2-one CAS Name: 3-[[2-(trifluoromethoxy)phenyl]methylamino]-2-azepanone IUPAC Name: 3-[[2-(trifluoromethoxy)phenyl]methylamino]azepan-2-one Traditional Name: 3-[[2-(trifluoromethoxy)benzyl]amino]azepan-2-one Formula: C14H17F3N2O2 MolecularWeight: 302.29219

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=CC=CC=C2OC(F)(F)F

Isomeric SMILES

C1CCNC(=O)C(C1)NCC2=CC=CC=C2OC(F)(F)F

InChI

InChI=1S/C14H17F3N2O2/c15-14(16,17)21-12-7-2-1-5-10(12)9-19-11-6-3-4-8-18-13(11)20/h1-2,5,7,11,19H,3-4,6,8-9H2,(H,18,20)