2-(4-tert-butylphenyl)-7-[(2-methoxypyridin-4-yl)methylamino]-3H-isoindol-1-one

Systemtic Name: 2-(4-tert-butylphenyl)-7-[(2-methoxypyridin-4-yl)methylamino]-3H-isoindol-1-one Openeye Name: 2-(4-tert-butylphenyl)-7-[(2-methoxy-4-pyridyl)methylamino]isoindolin-1-one CAS Name: 2-(4-tert-butylphenyl)-7-[(2-methoxy-4-pyridinyl)methylamino]-3H-isoindol-1-one IUPAC Name: 2-(4-tert-butylphenyl)-7-[(2-methoxypyridin-4-yl)methylamino]-3H-isoindol-1-one Traditional Name: 2-(4-tert-butylphenyl)-7-[(2-methoxy-4-pyridyl)methylamino]isoindolin-1-one Formula: C25H27N3O2 MolecularWeight: 401.50078

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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=CC(=NC=C4)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2CC3=C(C2=O)C(=CC=C3)NCC4=CC(=NC=C4)OC

InChI

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