3-(5-tert-butyl-1,3-thiazol-2-yl)-1-[(4-fluorophenyl)methyl]cinnolin-4-one

Systemtic Name: 3-(5-tert-butyl-1,3-thiazol-2-yl)-1-[(4-fluorophenyl)methyl]cinnolin-4-one Openeye Name: 3-(5-tert-butylthiazol-2-yl)-1-[(4-fluorophenyl)methyl]cinnolin-4-one CAS Name: 3-(5-tert-butyl-2-thiazolyl)-1-[(4-fluorophenyl)methyl]-4-cinnolinone IUPAC Name: 3-(5-tert-butyl-1,3-thiazol-2-yl)-1-[(4-fluorophenyl)methyl]cinnolin-4-one Traditional Name: 3-(5-tert-butylthiazol-2-yl)-1-(4-fluorobenzyl)cinnolin-4-one Formula: C22H20FN3OS MolecularWeight: 393.477103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CN=C(S1)C2=NN(C3=CC=CC=C3C2=O)CC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)C1=CN=C(S1)C2=NN(C3=CC=CC=C3C2=O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H20FN3OS/c1-22(2,3)18-12-24-21(28-18)19-20(27)16-6-4-5-7-17(16)26(25-19)13-14-8-10-15(23)11-9-14/h4-12H,13H2,1-3H3