N-(isoquinolin-5-ylmethyl)-N-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine

Systemtic Name: N-(isoquinolin-5-ylmethyl)-N-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine Openeye Name: N-(5-isoquinolylmethyl)-N-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine CAS Name: N-(5-isoquinolinylmethyl)-N-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine IUPAC Name: N-(isoquinolin-5-ylmethyl)-N-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine Traditional Name: 5-isoquinolylmethyl-methyl-[5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]amine Formula: C21H16F3N5 MolecularWeight: 395.38045

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC2=C1C=CN=C2)C3=NC(=CN=N3)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CN(CC1=CC=CC2=C1C=CN=C2)C3=NC(=CN=N3)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C21H16F3N5/c1-29(13-16-6-2-5-15-11-25-9-8-18(15)16)20-27-19(12-26-28-20)14-4-3-7-17(10-14)21(22,23)24/h2-12H,13H2,1H3