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

Systemtic Name: 1-[5,8-bis(fluoranyl)quinolin-4-yl]-3-(3-butanoyl-4-methoxy-phenyl)urea Openeye Name: 1-(3-butanoyl-4-methoxy-phenyl)-3-(5,8-difluoro-4-quinolyl)urea CAS Name: 1-(5,8-difluoro-4-quinolinyl)-3-[4-methoxy-3-(1-oxobutyl)phenyl]urea IUPAC Name: 1-(3-butanoyl-4-methoxyphenyl)-3-(5,8-difluoroquinolin-4-yl)urea Traditional Name: 1-(3-butyryl-4-methoxy-phenyl)-3-(5,8-difluoro-4-quinolyl)urea Formula: C21H19F2N3O3 MolecularWeight: 399.390666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F2N3O3/c1-3-4-17(27)13-11-12(5-8-18(13)29-2)25-21(28)26-16-9-10-24-20-15(23)7-6-14(22)19(16)20/h5-11H,3-4H2,1-2H3,(H2,24,25,26,28)