N5-[(4-fluorophenyl)methyl]isoquinoline-5,8-diamine

Systemtic Name: N5-[(4-fluorophenyl)methyl]isoquinoline-5,8-diamine Openeye Name: N5-[(4-fluorophenyl)methyl]isoquinoline-5,8-diamine CAS Name: N5-[(4-fluorophenyl)methyl]isoquinoline-5,8-diamine IUPAC Name: 5-N-[(4-fluorophenyl)methyl]isoquinoline-5,8-diamine Traditional Name: (8-amino-5-isoquinolyl)-(4-fluorobenzyl)amine Formula: C16H14FN3 MolecularWeight: 267.300863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C3C=CN=CC3=C(C=C2)N)F

Isomeric SMILES

C1=CC(=CC=C1CNC2=C3C=CN=CC3=C(C=C2)N)F

InChI

InChI=1S/C16H14FN3/c17-12-3-1-11(2-4-12)9-20-16-6-5-15(18)14-10-19-8-7-13(14)16/h1-8,10,20H,9,18H2