5-[1-(2-fluoranyl-4-methyl-phenyl)-5-methyl-1,2,3-triazol-4-yl]-2-propan-2-yl-3H-isoindol-1-one

Systemtic Name: 5-[1-(2-fluoranyl-4-methyl-phenyl)-5-methyl-1,2,3-triazol-4-yl]-2-propan-2-yl-3H-isoindol-1-one Openeye Name: 5-[1-(2-fluoro-4-methyl-phenyl)-5-methyl-triazol-4-yl]-2-isopropyl-isoindolin-1-one CAS Name: 5-[1-(2-fluoro-4-methylphenyl)-5-methyl-4-triazolyl]-2-propan-2-yl-3H-isoindol-1-one IUPAC Name: 5-[1-(2-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]-2-propan-2-yl-3H-isoindol-1-one Traditional Name: 5-[1-(2-fluoro-4-methyl-phenyl)-5-methyl-triazol-4-yl]-2-isopropyl-isoindolin-1-one Formula: C21H21FN4O MolecularWeight: 364.416043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=C(N=N2)C3=CC4=C(C=C3)C(=O)N(C4)C(C)C)C)F

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=C(N=N2)C3=CC4=C(C=C3)C(=O)N(C4)C(C)C)C)F

InChI

InChI=1S/C21H21FN4O/c1-12(2)25-11-16-10-15(6-7-17(16)21(25)27)20-14(4)26(24-23-20)19-8-5-13(3)9-18(19)22/h5-10,12H,11H2,1-4H3