1-(6-chloranylhexyl)-3-(2-methylquinolin-5-yl)urea

Systemtic Name: 1-(6-chloranylhexyl)-3-(2-methylquinolin-5-yl)urea Openeye Name: 1-(6-chlorohexyl)-3-(2-methyl-5-quinolyl)urea CAS Name: 1-(6-chlorohexyl)-3-(2-methyl-5-quinolinyl)urea IUPAC Name: 1-(6-chlorohexyl)-3-(2-methylquinolin-5-yl)urea Traditional Name: 1-(6-chlorohexyl)-3-(2-methyl-5-quinolyl)urea Formula: C17H22ClN3O MolecularWeight: 319.82908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC(=O)NCCCCCCCl

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC(=O)NCCCCCCCl

InChI

InChI=1S/C17H22ClN3O/c1-13-9-10-14-15(20-13)7-6-8-16(14)21-17(22)19-12-5-3-2-4-11-18/h6-10H,2-5,11-12H2,1H3,(H2,19,21,22)