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

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22F3N3/c23-22(24,25)20-6-4-16(5-7-20)21(28-12-1-9-26-11-13-28)18-2-3-19-15-27-10-8-17(19)14-18/h2-8,10,14-15,21,26H,1,9,11-13H2