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6-[1,4-diazepan-1-yl-[3-(trifluoromethyl)phenyl]methyl]isoquinoline

6-[1,4-diazepan-1-yl-[3-(trifluoromethyl)phenyl]methyl]isoquinoline

Systemtic Name:6-[1,4-diazepan-1-yl-[3-(trifluoromethyl)phenyl]methyl]isoquinoline
Openeye Name:6-[1,4-diazepan-1-yl-[3-(trifluoromethyl)phenyl]methyl]isoquinoline
CAS Name:6-[1,4-diazepan-1-yl-[3-(trifluoromethyl)phenyl]methyl]isoquinoline
IUPAC Name:6-[1,4-diazepan-1-yl-[3-(trifluoromethyl)phenyl]methyl]isoquinoline
Traditional Name:6-[1,4-diazepan-1-yl-[3-(trifluoromethyl)phenyl]methyl]isoquinoline
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=C(C=C3)C=NC=C4


Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC4=C(C=C3)C=NC=C4


InChI

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


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