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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)NC2=CC(=NC3=C2C=CC=C3CO)C(=O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)F)NC2=CC(=NC3=C2C=CC=C3CO)C(=O)C(C)C

InChI

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