7-oxidanylidene-N-[(3S)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-3-yl]azepane-4-carboxamide

Systemtic Name: 7-oxidanylidene-N-[(3S)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-3-yl]azepane-4-carboxamide Openeye Name: 7-oxo-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridyl]-3-piperidyl]azepane-4-carboxamide CAS Name: 7-oxo-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]-3-piperidinyl]-4-azepanecarboxamide IUPAC Name: 7-oxo-N-[(3S)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-3-yl]azepane-4-carboxamide Traditional Name: 7-keto-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridyl]-3-piperidyl]azepane-4-carboxamide Formula: C18H23F3N4O2 MolecularWeight: 384.39603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23F3N4O2/c19-18(20,21)13-4-5-15(23-10-13)25-9-1-2-14(11-25)24-17(27)12-3-6-16(26)22-8-7-12/h4-5,10,12,14H,1-3,6-9,11H2,(H,22,26)(H,24,27)/t12?,14-/m0/s1