2-[3-butanoyl-4-[(2,6-dimethylphenyl)amino]quinolin-6-yl]isoindole-1,3-dione

Systemtic Name: 2-[3-butanoyl-4-[(2,6-dimethylphenyl)amino]quinolin-6-yl]isoindole-1,3-dione Openeye Name: 2-[3-butanoyl-4-(2,6-dimethylanilino)-6-quinolyl]isoindoline-1,3-dione CAS Name: 2-[4-(2,6-dimethylanilino)-3-(1-oxobutyl)-6-quinolinyl]isoindole-1,3-dione IUPAC Name: 2-[3-butanoyl-4-(2,6-dimethylanilino)quinolin-6-yl]isoindole-1,3-dione Traditional Name: 2-[3-butyryl-4-(2,6-dimethylanilino)-6-quinolyl]isoindoline-1,3-quinone Formula: C29H25N3O3 MolecularWeight: 463.5271

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C=CC(=CC2=C1NC3=C(C=CC=C3C)C)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCCC(=O)C1=CN=C2C=CC(=CC2=C1NC3=C(C=CC=C3C)C)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C29H25N3O3/c1-4-8-25(33)23-16-30-24-14-13-19(32-28(34)20-11-5-6-12-21(20)29(32)35)15-22(24)27(23)31-26-17(2)9-7-10-18(26)3/h5-7,9-16H,4,8H2,1-3H3,(H,30,31)