1-[5,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-(3-butanoyl-4-methoxy-phenyl)urea

Systemtic Name: 1-[5,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-(3-butanoyl-4-methoxy-phenyl)urea Openeye Name: 1-(3-butanoyl-4-methoxy-phenyl)-3-(5,8-difluoro-2-methyl-4-quinolyl)urea CAS Name: 1-(5,8-difluoro-2-methyl-4-quinolinyl)-3-[4-methoxy-3-(1-oxobutyl)phenyl]urea IUPAC Name: 1-(3-butanoyl-4-methoxyphenyl)-3-(5,8-difluoro-2-methylquinolin-4-yl)urea Traditional Name: 1-(3-butyryl-4-methoxy-phenyl)-3-(5,8-difluoro-2-methyl-4-quinolyl)urea Formula: C22H21F2N3O3 MolecularWeight: 413.417246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC(=NC3=C(C=CC(=C23)F)F)C)OC

Isomeric SMILES

CCCC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC(=NC3=C(C=CC(=C23)F)F)C)OC

InChI

InChI=1S/C22H21F2N3O3/c1-4-5-18(28)14-11-13(6-9-19(14)30-3)26-22(29)27-17-10-12(2)25-21-16(24)8-7-15(23)20(17)21/h6-11H,4-5H2,1-3H3,(H2,25,26,27,29)