3-[1,4-diazepan-1-yl-[3-(trifluoromethyl)phenyl]methyl]quinoline

Systemtic Name: 3-[1,4-diazepan-1-yl-[3-(trifluoromethyl)phenyl]methyl]quinoline Openeye Name: 3-[1,4-diazepan-1-yl-[3-(trifluoromethyl)phenyl]methyl]quinoline CAS Name: 3-[1,4-diazepan-1-yl-[3-(trifluoromethyl)phenyl]methyl]quinoline IUPAC Name: 3-[1,4-diazepan-1-yl-[3-(trifluoromethyl)phenyl]methyl]quinoline Traditional Name: 3-[1,4-diazepan-1-yl-[3-(trifluoromethyl)phenyl]methyl]quinoline Formula: C22H22F3N3 MolecularWeight: 385.42539

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C22H22F3N3/c23-22(24,25)19-7-3-6-17(14-19)21(28-11-4-9-26-10-12-28)18-13-16-5-1-2-8-20(16)27-15-18/h1-3,5-8,13-15,21,26H,4,9-12H2