3-[2,4-bis(fluoranyl)phenyl]-1-(6-chloranyl-4-phenyl-quinolin-3-yl)-1-heptyl-urea

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-1-(6-chloranyl-4-phenyl-quinolin-3-yl)-1-heptyl-urea Openeye Name: 1-(6-chloro-4-phenyl-3-quinolyl)-3-(2,4-difluorophenyl)-1-heptyl-urea CAS Name: 1-(6-chloro-4-phenyl-3-quinolinyl)-3-(2,4-difluorophenyl)-1-heptylurea IUPAC Name: 1-(6-chloro-4-phenylquinolin-3-yl)-3-(2,4-difluorophenyl)-1-heptylurea Traditional Name: 1-(6-chloro-4-phenyl-3-quinolyl)-3-(2,4-difluorophenyl)-1-heptyl-urea Formula: C29H28ClF2N3O MolecularWeight: 508.001926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1=CN=C2C=CC(=CC2=C1C3=CC=CC=C3)Cl)C(=O)NC4=C(C=C(C=C4)F)F

Isomeric SMILES

CCCCCCCN(C1=CN=C2C=CC(=CC2=C1C3=CC=CC=C3)Cl)C(=O)NC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C29H28ClF2N3O/c1-2-3-4-5-9-16-35(29(36)34-26-15-13-22(31)18-24(26)32)27-19-33-25-14-12-21(30)17-23(25)28(27)20-10-7-6-8-11-20/h6-8,10-15,17-19H,2-5,9,16H2,1H3,(H,34,36)