2-(4-tert-butylphenyl)-7-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)-3H-isoindol-1-one

Systemtic Name: 2-(4-tert-butylphenyl)-7-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)-3H-isoindol-1-one Openeye Name: 2-(4-tert-butylphenyl)-7-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)isoindolin-1-one CAS Name: 2-(4-tert-butylphenyl)-7-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)-3H-isoindol-1-one IUPAC Name: 2-(4-tert-butylphenyl)-7-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)-3H-isoindol-1-one Traditional Name: 2-(4-tert-butylphenyl)-7-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)isoindolin-1-one Formula: C26H26N4O MolecularWeight: 410.51084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2CC3=C(C2=O)C(=CC=C3)NCC4=CNC5=C4C=CC=N5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2CC3=C(C2=O)C(=CC=C3)NCC4=CNC5=C4C=CC=N5

InChI

InChI=1S/C26H26N4O/c1-26(2,3)19-9-11-20(12-10-19)30-16-17-6-4-8-22(23(17)25(30)31)28-14-18-15-29-24-21(18)7-5-13-27-24/h4-13,15,28H,14,16H2,1-3H3,(H,27,29)