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

Systemtic Name: 2-(4-tert-butylphenyl)-7-[(2-chloranylpyridin-4-yl)methylamino]-3H-isoindol-1-one Openeye Name: 2-(4-tert-butylphenyl)-7-[(2-chloro-4-pyridyl)methylamino]isoindolin-1-one CAS Name: 2-(4-tert-butylphenyl)-7-[(2-chloro-4-pyridinyl)methylamino]-3H-isoindol-1-one IUPAC Name: 2-(4-tert-butylphenyl)-7-[(2-chloropyridin-4-yl)methylamino]-3H-isoindol-1-one Traditional Name: 2-(4-tert-butylphenyl)-7-[(2-chloro-4-pyridyl)methylamino]isoindolin-1-one Formula: C24H24ClN3O MolecularWeight: 405.91986

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H24ClN3O/c1-24(2,3)18-7-9-19(10-8-18)28-15-17-5-4-6-20(22(17)23(28)29)27-14-16-11-12-26-21(25)13-16/h4-13,27H,14-15H2,1-3H3