1-[2-(6-fluoranyl-4H-1,3-benzodioxin-8-yl)ethyl]-3-(8-methylquinolin-5-yl)urea

Systemtic Name: 1-[2-(6-fluoranyl-4H-1,3-benzodioxin-8-yl)ethyl]-3-(8-methylquinolin-5-yl)urea Openeye Name: 1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(8-methyl-5-quinolyl)urea CAS Name: 1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(8-methyl-5-quinolinyl)urea IUPAC Name: 1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(8-methylquinolin-5-yl)urea Traditional Name: 1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(8-methyl-5-quinolyl)urea Formula: C21H20FN3O3 MolecularWeight: 381.400203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)NC(=O)NCCC3=C4C(=CC(=C3)F)COCO4)C=CC=N2

Isomeric SMILES

CC1=C2C(=C(C=C1)NC(=O)NCCC3=C4C(=CC(=C3)F)COCO4)C=CC=N2

InChI

InChI=1S/C21H20FN3O3/c1-13-4-5-18(17-3-2-7-23-19(13)17)25-21(26)24-8-6-14-9-16(22)10-15-11-27-12-28-20(14)15/h2-5,7,9-10H,6,8,11-12H2,1H3,(H2,24,25,26)