2-(4-tert-butylphenyl)-7-(quinolin-5-ylamino)-3H-isoindol-1-one

Systemtic Name: 2-(4-tert-butylphenyl)-7-(quinolin-5-ylamino)-3H-isoindol-1-one Openeye Name: 2-(4-tert-butylphenyl)-7-(5-quinolylamino)isoindolin-1-one CAS Name: 2-(4-tert-butylphenyl)-7-(5-quinolinylamino)-3H-isoindol-1-one IUPAC Name: 2-(4-tert-butylphenyl)-7-(quinolin-5-ylamino)-3H-isoindol-1-one Traditional Name: 2-(4-tert-butylphenyl)-7-(5-quinolylamino)isoindolin-1-one Formula: C27H25N3O MolecularWeight: 407.5069

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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)NC4=CC=CC5=C4C=CC=N5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2CC3=C(C2=O)C(=CC=C3)NC4=CC=CC5=C4C=CC=N5

InChI

InChI=1S/C27H25N3O/c1-27(2,3)19-12-14-20(15-13-19)30-17-18-7-4-11-24(25(18)26(30)31)29-23-10-5-9-22-21(23)8-6-16-28-22/h4-16,29H,17H2,1-3H3