1-[4-[(2,6-dimethylphenyl)amino]-8-(3-oxidanylpropoxy)quinolin-3-yl]butan-1-one

Systemtic Name: 1-[4-[(2,6-dimethylphenyl)amino]-8-(3-oxidanylpropoxy)quinolin-3-yl]butan-1-one Openeye Name: 1-[4-(2,6-dimethylanilino)-8-(3-hydroxypropoxy)-3-quinolyl]butan-1-one CAS Name: 1-[4-(2,6-dimethylanilino)-8-(3-hydroxypropoxy)-3-quinolinyl]-1-butanone IUPAC Name: 1-[4-(2,6-dimethylanilino)-8-(3-hydroxypropoxy)quinolin-3-yl]butan-1-one Traditional Name: 1-[4-(2,6-dimethylanilino)-8-(3-hydroxypropoxy)-3-quinolyl]butan-1-one Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1NC3=C(C=CC=C3C)C)C=CC=C2OCCCO

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=C(C=CC=C3C)C)C=CC=C2OCCCO

InChI

InChI=1S/C24H28N2O3/c1-4-8-20(28)19-15-25-24-18(11-6-12-21(24)29-14-7-13-27)23(19)26-22-16(2)9-5-10-17(22)3/h5-6,9-12,15,27H,4,7-8,13-14H2,1-3H3,(H,25,26)