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

Systemtic Name: 1-[4-[(3-chloranyl-4-oxidanyl-phenyl)amino]-8-methoxy-quinolin-3-yl]butan-1-one hydrochloride Openeye Name: 1-[4-(3-chloro-4-hydroxy-anilino)-8-methoxy-3-quinolyl]butan-1-one hydrochloride CAS Name: 1-[4-(3-chloro-4-hydroxyanilino)-8-methoxy-3-quinolinyl]-1-butanone hydrochloride IUPAC Name: 1-[4-(3-chloro-4-hydroxyanilino)-8-methoxyquinolin-3-yl]butan-1-one hydrochloride Traditional Name: 1-[4-(3-chloro-4-hydroxy-anilino)-8-methoxy-3-quinolyl]butan-1-one hydrochloride Formula: C20H20Cl2N2O3 MolecularWeight: 407.2904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O3.ClH/c1-3-5-16(24)14-11-22-20-13(6-4-7-18(20)26-2)19(14)23-12-8-9-17(25)15(21)10-12;/h4,6-11,25H,3,5H2,1-2H3,(H,22,23);1H