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

Systemtic Name: 1-[4-[(4-fluoranyl-2-methyl-phenyl)amino]-8-(hydroxymethyl)quinolin-3-yl]butan-1-one Openeye Name: 1-[4-(4-fluoro-2-methyl-anilino)-8-(hydroxymethyl)-3-quinolyl]butan-1-one CAS Name: 1-[4-(4-fluoro-2-methylanilino)-8-(hydroxymethyl)-3-quinolinyl]-1-butanone IUPAC Name: 1-[4-(4-fluoro-2-methylanilino)-8-(hydroxymethyl)quinolin-3-yl]butan-1-one Traditional Name: 1-[4-(4-fluoro-2-methyl-anilino)-8-methylol-3-quinolyl]butan-1-one Formula: C21H21FN2O2 MolecularWeight: 352.402043

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1NC3=C(C=C(C=C3)F)C)C=CC=C2CO

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=C(C=C(C=C3)F)C)C=CC=C2CO

InChI

InChI=1S/C21H21FN2O2/c1-3-5-19(26)17-11-23-20-14(12-25)6-4-7-16(20)21(17)24-18-9-8-15(22)10-13(18)2/h4,6-11,25H,3,5,12H2,1-2H3,(H,23,24)