1-(3-butanoyl-4-methoxy-phenyl)-3-(8-fluoranyl-2-methyl-quinolin-4-yl)urea

Systemtic Name: 1-(3-butanoyl-4-methoxy-phenyl)-3-(8-fluoranyl-2-methyl-quinolin-4-yl)urea Openeye Name: 1-(3-butanoyl-4-methoxy-phenyl)-3-(8-fluoro-2-methyl-4-quinolyl)urea CAS Name: 1-(8-fluoro-2-methyl-4-quinolinyl)-3-[4-methoxy-3-(1-oxobutyl)phenyl]urea IUPAC Name: 1-(3-butanoyl-4-methoxyphenyl)-3-(8-fluoro-2-methylquinolin-4-yl)urea Traditional Name: 1-(3-butyryl-4-methoxy-phenyl)-3-(8-fluoro-2-methyl-4-quinolyl)urea Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC(=NC3=C2C=CC=C3F)C)OC

Isomeric SMILES

CCCC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC(=NC3=C2C=CC=C3F)C)OC

InChI

InChI=1S/C22H22FN3O3/c1-4-6-19(27)16-12-14(9-10-20(16)29-3)25-22(28)26-18-11-13(2)24-21-15(18)7-5-8-17(21)23/h5,7-12H,4,6H2,1-3H3,(H2,24,25,26,28)