1-[8-(6-chloranylpyrimidin-4-yl)oxy-4-[(2-methylphenyl)amino]quinolin-3-yl]butan-1-one

Systemtic Name: 1-[8-(6-chloranylpyrimidin-4-yl)oxy-4-[(2-methylphenyl)amino]quinolin-3-yl]butan-1-one Openeye Name: 1-[8-(6-chloropyrimidin-4-yl)oxy-4-(2-methylanilino)-3-quinolyl]butan-1-one CAS Name: 1-[8-[(6-chloro-4-pyrimidinyl)oxy]-4-(2-methylanilino)-3-quinolinyl]-1-butanone IUPAC Name: 1-[8-(6-chloropyrimidin-4-yl)oxy-4-(2-methylanilino)quinolin-3-yl]butan-1-one Traditional Name: 1-[8-(6-chloropyrimidin-4-yl)oxy-4-(o-toluidino)-3-quinolyl]butan-1-one Formula: C24H21ClN4O2 MolecularWeight: 432.90214

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2OC4=CC(=NC=N4)Cl

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2OC4=CC(=NC=N4)Cl

InChI

InChI=1S/C24H21ClN4O2/c1-3-7-19(30)17-13-26-24-16(23(17)29-18-10-5-4-8-15(18)2)9-6-11-20(24)31-22-12-21(25)27-14-28-22/h4-6,8-14H,3,7H2,1-2H3,(H,26,29)