7-oxidanylidene-N-[(3S)-1-[4-(trifluoromethyloxy)phenyl]piperidin-3-yl]azepane-4-carboxamide

Systemtic Name: 7-oxidanylidene-N-[(3S)-1-[4-(trifluoromethyloxy)phenyl]piperidin-3-yl]azepane-4-carboxamide Openeye Name: 7-oxo-N-[(3S)-1-[4-(trifluoromethoxy)phenyl]-3-piperidyl]azepane-4-carboxamide CAS Name: 7-oxo-N-[(3S)-1-[4-(trifluoromethoxy)phenyl]-3-piperidinyl]-4-azepanecarboxamide IUPAC Name: 7-oxo-N-[(3S)-1-[4-(trifluoromethoxy)phenyl]piperidin-3-yl]azepane-4-carboxamide Traditional Name: 7-keto-N-[(3S)-1-[4-(trifluoromethoxy)phenyl]-3-piperidyl]azepane-4-carboxamide Formula: C19H24F3N3O3 MolecularWeight: 399.40737

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC=C(C=C2)OC(F)(F)F)NC(=O)C3CCC(=O)NCC3

Isomeric SMILES

C1C[C@@H](CN(C1)C2=CC=C(C=C2)OC(F)(F)F)NC(=O)C3CCC(=O)NCC3

InChI

InChI=1S/C19H24F3N3O3/c20-19(21,22)28-16-6-4-15(5-7-16)25-11-1-2-14(12-25)24-18(27)13-3-8-17(26)23-10-9-13/h4-7,13-14H,1-3,8-12H2,(H,23,26)(H,24,27)/t13?,14-/m0/s1