N-ethyl-4-[1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]piperidin-4-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-ethyl-4-[1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]piperidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-ethyl-4-[1-[[6-(trifluoromethyl)-3-pyridyl]methyl]-4-piperidyl]-1,4-diazepane-1-carboxamide CAS Name: N-ethyl-4-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-4-piperidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-ethyl-4-[1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]piperidin-4-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-ethyl-4-[1-[[6-(trifluoromethyl)-3-pyridyl]methyl]-4-piperidyl]-1,4-diazepane-1-carboxamide Formula: C20H30F3N5O MolecularWeight: 413.48031

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCCN(CC1)C2CCN(CC2)CC3=CN=C(C=C3)C(F)(F)F

Isomeric SMILES

CCNC(=O)N1CCCN(CC1)C2CCN(CC2)CC3=CN=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H30F3N5O/c1-2-24-19(29)28-9-3-8-27(12-13-28)17-6-10-26(11-7-17)15-16-4-5-18(25-14-16)20(21,22)23/h4-5,14,17H,2-3,6-13,15H2,1H3,(H,24,29)