8-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methyl]quinoline

Systemtic Name: 8-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methyl]quinoline Openeye Name: 8-[[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methyl]quinoline CAS Name: 8-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]quinoline IUPAC Name: 8-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methyl]quinoline Traditional Name: 8-[[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methyl]quinoline Formula: C21H21F3N4 MolecularWeight: 386.41345

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=C(C=C2)C(F)(F)F)CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C2=NC=C(C=C2)C(F)(F)F)CC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H21F3N4/c22-21(23,24)18-7-8-19(26-14-18)28-11-3-10-27(12-13-28)15-17-5-1-4-16-6-2-9-25-20(16)17/h1-2,4-9,14H,3,10-13,15H2