6-[1,4-diazepan-1-yl-[2-(trifluoromethyl)phenyl]methyl]isoquinoline

Systemtic Name: 6-[1,4-diazepan-1-yl-[2-(trifluoromethyl)phenyl]methyl]isoquinoline Openeye Name: 6-[1,4-diazepan-1-yl-[2-(trifluoromethyl)phenyl]methyl]isoquinoline CAS Name: 6-[1,4-diazepan-1-yl-[2-(trifluoromethyl)phenyl]methyl]isoquinoline IUPAC Name: 6-[1,4-diazepan-1-yl-[2-(trifluoromethyl)phenyl]methyl]isoquinoline Traditional Name: 6-[1,4-diazepan-1-yl-[2-(trifluoromethyl)phenyl]methyl]isoquinoline Formula: C22H22F3N3 MolecularWeight: 385.42539

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CNCCN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CC=C4C(F)(F)F

InChI

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