2-(4-tert-butylphenyl)-3-methyl-3-oxidanyl-7-(pyridin-4-ylmethylamino)isoindol-1-one

Systemtic Name: 2-(4-tert-butylphenyl)-3-methyl-3-oxidanyl-7-(pyridin-4-ylmethylamino)isoindol-1-one Openeye Name: 2-(4-tert-butylphenyl)-3-hydroxy-3-methyl-7-(4-pyridylmethylamino)isoindolin-1-one CAS Name: 2-(4-tert-butylphenyl)-3-hydroxy-3-methyl-7-(pyridin-4-ylmethylamino)-1-isoindolone IUPAC Name: 2-(4-tert-butylphenyl)-3-hydroxy-3-methyl-7-(pyridin-4-ylmethylamino)isoindol-1-one Traditional Name: 2-(4-tert-butylphenyl)-3-hydroxy-3-methyl-7-(4-pyridylmethylamino)isoindolin-1-one Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C(=CC=C2)NCC3=CC=NC=C3)C(=O)N1C4=CC=C(C=C4)C(C)(C)C)O

Isomeric SMILES

CC1(C2=C(C(=CC=C2)NCC3=CC=NC=C3)C(=O)N1C4=CC=C(C=C4)C(C)(C)C)O

InChI

InChI=1S/C25H27N3O2/c1-24(2,3)18-8-10-19(11-9-18)28-23(29)22-20(25(28,4)30)6-5-7-21(22)27-16-17-12-14-26-15-13-17/h5-15,27,30H,16H2,1-4H3