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

Systemtic Name: 1-[8-ethanoyl-4-[(2-methyl-4-oxidanyl-phenyl)amino]quinolin-3-yl]butan-1-one Openeye Name: 1-[8-acetyl-4-(4-hydroxy-2-methyl-anilino)-3-quinolyl]butan-1-one CAS Name: 1-[8-acetyl-4-(4-hydroxy-2-methylanilino)-3-quinolinyl]-1-butanone IUPAC Name: 1-[8-acetyl-4-(4-hydroxy-2-methylanilino)quinolin-3-yl]butan-1-one Traditional Name: 1-[8-acetyl-4-(4-hydroxy-2-methyl-anilino)-3-quinolyl]butan-1-one Formula: C22H22N2O3 MolecularWeight: 362.42168

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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=C2C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3/c1-4-6-20(27)18-12-23-21-16(14(3)25)7-5-8-17(21)22(18)24-19-10-9-15(26)11-13(19)2/h5,7-12,26H,4,6H2,1-3H3,(H,23,24)