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

Systemtic Name: N-phenethyl-4-[1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]piperidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-phenethyl-4-[1-[[6-(trifluoromethyl)-3-pyridyl]methyl]-4-piperidyl]-1,4-diazepane-1-carboxamide CAS Name: N-phenethyl-4-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-4-piperidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-phenethyl-4-[1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]piperidin-4-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-phenethyl-4-[1-[[6-(trifluoromethyl)-3-pyridyl]methyl]-4-piperidyl]-1,4-diazepane-1-carboxamide Formula: C26H34F3N5O MolecularWeight: 489.57627

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCCC2=CC=CC=C2)C3CCN(CC3)CC4=CN=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCCC2=CC=CC=C2)C3CCN(CC3)CC4=CN=C(C=C4)C(F)(F)F

InChI

InChI=1S/C26H34F3N5O/c27-26(28,29)24-8-7-22(19-31-24)20-32-15-10-23(11-16-32)33-13-4-14-34(18-17-33)25(35)30-12-9-21-5-2-1-3-6-21/h1-3,5-8,19,23H,4,9-18,20H2,(H,30,35)