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

Systemtic Name: 2-(4-tert-butylphenyl)-3-methyl-7-(pyridin-4-ylmethylamino)-3H-isoindol-1-one Openeye Name: 2-(4-tert-butylphenyl)-3-methyl-7-(4-pyridylmethylamino)isoindolin-1-one CAS Name: 2-(4-tert-butylphenyl)-3-methyl-7-(pyridin-4-ylmethylamino)-3H-isoindol-1-one IUPAC Name: 2-(4-tert-butylphenyl)-3-methyl-7-(pyridin-4-ylmethylamino)-3H-isoindol-1-one Traditional Name: 2-(4-tert-butylphenyl)-3-methyl-7-(4-pyridylmethylamino)isoindolin-1-one Formula: C25H27N3O MolecularWeight: 385.50138

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C(=CC=C2)NCC3=CC=NC=C3)C(=O)N1C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1C2=C(C(=CC=C2)NCC3=CC=NC=C3)C(=O)N1C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C25H27N3O/c1-17-21-6-5-7-22(27-16-18-12-14-26-15-13-18)23(21)24(29)28(17)20-10-8-19(9-11-20)25(2,3)4/h5-15,17,27H,16H2,1-4H3