6-[1-(4-fluorophenyl)-5-methyl-1,2,3-triazol-4-yl]-2-(2-methyl-2-oxidanyl-propyl)isoquinolin-1-one

Systemtic Name: 6-[1-(4-fluorophenyl)-5-methyl-1,2,3-triazol-4-yl]-2-(2-methyl-2-oxidanyl-propyl)isoquinolin-1-one Openeye Name: 6-[1-(4-fluorophenyl)-5-methyl-triazol-4-yl]-2-(2-hydroxy-2-methyl-propyl)isoquinolin-1-one CAS Name: 6-[1-(4-fluorophenyl)-5-methyl-4-triazolyl]-2-(2-hydroxy-2-methylpropyl)-1-isoquinolinone IUPAC Name: 6-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-hydroxy-2-methylpropyl)isoquinolin-1-one Traditional Name: 6-[1-(4-fluorophenyl)-5-methyl-triazol-4-yl]-2-(2-hydroxy-2-methyl-propyl)isocarbostyril Formula: C22H21FN4O2 MolecularWeight: 392.426143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=CC=C(C=C2)F)C3=CC4=C(C=C3)C(=O)N(C=C4)CC(C)(C)O

Isomeric SMILES

CC1=C(N=NN1C2=CC=C(C=C2)F)C3=CC4=C(C=C3)C(=O)N(C=C4)CC(C)(C)O

InChI

InChI=1S/C22H21FN4O2/c1-14-20(24-25-27(14)18-7-5-17(23)6-8-18)16-4-9-19-15(12-16)10-11-26(21(19)28)13-22(2,3)29/h4-12,29H,13H2,1-3H3