N-[[3,4-bis(fluoranyl)phenyl]methyl]-N-piperidin-3-yl-isoquinolin-5-amine

Systemtic Name: N-[[3,4-bis(fluoranyl)phenyl]methyl]-N-piperidin-3-yl-isoquinolin-5-amine Openeye Name: N-[(3,4-difluorophenyl)methyl]-N-(3-piperidyl)isoquinolin-5-amine CAS Name: N-[(3,4-difluorophenyl)methyl]-N-(3-piperidinyl)-5-isoquinolinamine IUPAC Name: N-[(3,4-difluorophenyl)methyl]-N-piperidin-3-ylisoquinolin-5-amine Traditional Name: (3,4-difluorobenzyl)-(5-isoquinolyl)-(3-piperidyl)amine Formula: C21H21F2N3 MolecularWeight: 353.408346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)N(CC2=CC(=C(C=C2)F)F)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CC(CNC1)N(CC2=CC(=C(C=C2)F)F)C3=CC=CC4=C3C=CN=C4

InChI

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