N-[1-[[2,6-bis(fluoranyl)phenyl]methyl]piperidin-3-yl]isoquinolin-5-amine

Systemtic Name: N-[1-[[2,6-bis(fluoranyl)phenyl]methyl]piperidin-3-yl]isoquinolin-5-amine Openeye Name: N-[1-[(2,6-difluorophenyl)methyl]-3-piperidyl]isoquinolin-5-amine CAS Name: N-[1-[(2,6-difluorophenyl)methyl]-3-piperidinyl]-5-isoquinolinamine IUPAC Name: N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine Traditional Name: [1-(2,6-difluorobenzyl)-3-piperidyl]-(5-isoquinolyl)amine Formula: C21H21F2N3 MolecularWeight: 353.408346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=C(C=CC=C2F)F)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CC(CN(C1)CC2=C(C=CC=C2F)F)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H21F2N3/c22-19-6-2-7-20(23)18(19)14-26-11-3-5-16(13-26)25-21-8-1-4-15-12-24-10-9-17(15)21/h1-2,4,6-10,12,16,25H,3,5,11,13-14H2