1-[4-[(2,6-dimethylphenyl)amino]-8-oxidanyl-quinolin-3-yl]butan-1-one

Systemtic Name: 1-[4-[(2,6-dimethylphenyl)amino]-8-oxidanyl-quinolin-3-yl]butan-1-one Openeye Name: 1-[4-(2,6-dimethylanilino)-8-hydroxy-3-quinolyl]butan-1-one CAS Name: 1-[4-(2,6-dimethylanilino)-8-hydroxy-3-quinolinyl]-1-butanone IUPAC Name: 1-[4-(2,6-dimethylanilino)-8-hydroxyquinolin-3-yl]butan-1-one Traditional Name: 1-[4-(2,6-dimethylanilino)-8-hydroxy-3-quinolyl]butan-1-one Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1NC3=C(C=CC=C3C)C)C=CC=C2O

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=C(C=CC=C3C)C)C=CC=C2O

InChI

InChI=1S/C21H22N2O2/c1-4-7-17(24)16-12-22-21-15(10-6-11-18(21)25)20(16)23-19-13(2)8-5-9-14(19)3/h5-6,8-12,25H,4,7H2,1-3H3,(H,22,23)