1-[8-methoxy-4-[(2-methyl-4-oxidanyl-phenyl)amino]quinolin-3-yl]butan-1-one

Systemtic Name: 1-[8-methoxy-4-[(2-methyl-4-oxidanyl-phenyl)amino]quinolin-3-yl]butan-1-one Openeye Name: 1-[4-(4-hydroxy-2-methyl-anilino)-8-methoxy-3-quinolyl]butan-1-one CAS Name: 1-[4-(4-hydroxy-2-methylanilino)-8-methoxy-3-quinolinyl]-1-butanone IUPAC Name: 1-[4-(4-hydroxy-2-methylanilino)-8-methoxyquinolin-3-yl]butan-1-one Traditional Name: 1-[4-(4-hydroxy-2-methyl-anilino)-8-methoxy-3-quinolyl]butan-1-one Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1NC3=C(C=C(C=C3)O)C)C=CC=C2OC

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=C(C=C(C=C3)O)C)C=CC=C2OC

InChI

InChI=1S/C21H22N2O3/c1-4-6-18(25)16-12-22-21-15(7-5-8-19(21)26-3)20(16)23-17-10-9-14(24)11-13(17)2/h5,7-12,24H,4,6H2,1-3H3,(H,22,23)