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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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