N-(1H-1,2,4-triazol-5-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine

Systemtic Name: N-(1H-1,2,4-triazol-5-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine Openeye Name: N-(1H-1,2,4-triazol-5-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine CAS Name: N-(1H-1,2,4-triazol-5-yl)-3-[2-(trifluoromethyl)phenyl]-1-isoquinolinamine IUPAC Name: N-(1H-1,2,4-triazol-5-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine Traditional Name: 1H-1,2,4-triazol-5-yl-[3-[2-(trifluoromethyl)phenyl]-1-isoquinolyl]amine Formula: C18H12F3N5 MolecularWeight: 355.31659

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2NC3=NC=NN3)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2NC3=NC=NN3)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C18H12F3N5/c19-18(20,21)14-8-4-3-7-13(14)15-9-11-5-1-2-6-12(11)16(24-15)25-17-22-10-23-26-17/h1-10H,(H2,22,23,24,25,26)