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

Systemtic Name: 2-(4-tert-butylphenyl)-7-(2-pyridin-3-ylethylamino)-3H-isoindol-1-one Openeye Name: 2-(4-tert-butylphenyl)-7-[2-(3-pyridyl)ethylamino]isoindolin-1-one CAS Name: 2-(4-tert-butylphenyl)-7-[2-(3-pyridinyl)ethylamino]-3H-isoindol-1-one IUPAC Name: 2-(4-tert-butylphenyl)-7-(2-pyridin-3-ylethylamino)-3H-isoindol-1-one Traditional Name: 2-(4-tert-butylphenyl)-7-[2-(3-pyridyl)ethylamino]isoindolin-1-one Formula: C25H27N3O MolecularWeight: 385.50138

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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)NCCC4=CN=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2CC3=C(C2=O)C(=CC=C3)NCCC4=CN=CC=C4

InChI

InChI=1S/C25H27N3O/c1-25(2,3)20-9-11-21(12-10-20)28-17-19-7-4-8-22(23(19)24(28)29)27-15-13-18-6-5-14-26-16-18/h4-12,14,16,27H,13,15,17H2,1-3H3