1-[6-(hydroxymethyl)-4-[(2-methylphenyl)amino]quinolin-3-yl]butan-1-one

Systemtic Name: 1-[6-(hydroxymethyl)-4-[(2-methylphenyl)amino]quinolin-3-yl]butan-1-one Openeye Name: 1-[6-(hydroxymethyl)-4-(2-methylanilino)-3-quinolyl]butan-1-one CAS Name: 1-[6-(hydroxymethyl)-4-(2-methylanilino)-3-quinolinyl]-1-butanone IUPAC Name: 1-[6-(hydroxymethyl)-4-(2-methylanilino)quinolin-3-yl]butan-1-one Traditional Name: 1-[6-methylol-4-(o-toluidino)-3-quinolyl]butan-1-one Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=CC=C3C)CO

Isomeric SMILES

CCCC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=CC=C3C)CO

InChI

InChI=1S/C21H22N2O2/c1-3-6-20(25)17-12-22-19-10-9-15(13-24)11-16(19)21(17)23-18-8-5-4-7-14(18)2/h4-5,7-12,24H,3,6,13H2,1-2H3,(H,22,23)