4-[4-[1-(1H-imidazol-5-yl)-2-methyl-1-oxidanyl-propyl]phenyl]-2,3-dihydroisoindol-1-one

Systemtic Name: 4-[4-[1-(1H-imidazol-5-yl)-2-methyl-1-oxidanyl-propyl]phenyl]-2,3-dihydroisoindol-1-one Openeye Name: 4-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methyl-propyl]phenyl]isoindolin-1-one CAS Name: 4-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-2,3-dihydroisoindol-1-one IUPAC Name: 4-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]-2,3-dihydroisoindol-1-one Traditional Name: 4-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methyl-propyl]phenyl]isoindolin-1-one Formula: C21H21N3O2 MolecularWeight: 347.41034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)C2=C3CNC(=O)C3=CC=C2)(C4=CN=CN4)O

Isomeric SMILES

CC(C)C(C1=CC=C(C=C1)C2=C3CNC(=O)C3=CC=C2)(C4=CN=CN4)O

InChI

InChI=1S/C21H21N3O2/c1-13(2)21(26,19-11-22-12-24-19)15-8-6-14(7-9-15)16-4-3-5-17-18(16)10-23-20(17)25/h3-9,11-13,26H,10H2,1-2H3,(H,22,24)(H,23,25)