1-[2,4-bis(fluoranyl)phenyl]-3-(5-tert-butyl-1,3-oxazol-2-yl)cinnolin-4-one

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-3-(5-tert-butyl-1,3-oxazol-2-yl)cinnolin-4-one Openeye Name: 3-(5-tert-butyloxazol-2-yl)-1-(2,4-difluorophenyl)cinnolin-4-one CAS Name: 3-(5-tert-butyl-2-oxazolyl)-1-(2,4-difluorophenyl)-4-cinnolinone IUPAC Name: 3-(5-tert-butyl-1,3-oxazol-2-yl)-1-(2,4-difluorophenyl)cinnolin-4-one Traditional Name: 3-(5-tert-butyloxazol-2-yl)-1-(2,4-difluorophenyl)cinnolin-4-one Formula: C21H17F2N3O2 MolecularWeight: 381.375386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CN=C(O1)C2=NN(C3=CC=CC=C3C2=O)C4=C(C=C(C=C4)F)F

Isomeric SMILES

CC(C)(C)C1=CN=C(O1)C2=NN(C3=CC=CC=C3C2=O)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C21H17F2N3O2/c1-21(2,3)17-11-24-20(28-17)18-19(27)13-6-4-5-7-15(13)26(25-18)16-9-8-12(22)10-14(16)23/h4-11H,1-3H3