1-[8-[2-(1H-imidazol-5-yl)ethylamino]-4-[(2-methylphenyl)amino]quinolin-3-yl]butan-1-one

Systemtic Name: 1-[8-[2-(1H-imidazol-5-yl)ethylamino]-4-[(2-methylphenyl)amino]quinolin-3-yl]butan-1-one Openeye Name: 1-[8-[2-(1H-imidazol-5-yl)ethylamino]-4-(2-methylanilino)-3-quinolyl]butan-1-one CAS Name: 1-[8-[2-(1H-imidazol-5-yl)ethylamino]-4-(2-methylanilino)-3-quinolinyl]-1-butanone IUPAC Name: 1-[8-[2-(1H-imidazol-5-yl)ethylamino]-4-(2-methylanilino)quinolin-3-yl]butan-1-one Traditional Name: 1-[8-[2-(1H-imidazol-5-yl)ethylamino]-4-(o-toluidino)-3-quinolyl]butan-1-one Formula: C25H27N5O MolecularWeight: 413.51478

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2NCCC4=CN=CN4

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2NCCC4=CN=CN4

InChI

InChI=1S/C25H27N5O/c1-3-7-23(31)20-15-28-25-19(24(20)30-21-10-5-4-8-17(21)2)9-6-11-22(25)27-13-12-18-14-26-16-29-18/h4-6,8-11,14-16,27H,3,7,12-13H2,1-2H3,(H,26,29)(H,28,30)