3-(2-tert-butyl-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl)-1-(2-fluorophenyl)-4-morpholin-4-yl-pyrrole-2,5-dione

Systemtic Name: 3-(2-tert-butyl-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl)-1-(2-fluorophenyl)-4-morpholin-4-yl-pyrrole-2,5-dione Openeye Name: 3-(2-tert-butyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-1-(2-fluorophenyl)-4-morpholino-pyrrole-2,5-dione CAS Name: 3-(2-tert-butyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-1-(2-fluorophenyl)-4-(4-morpholinyl)pyrrole-2,5-dione IUPAC Name: 3-(2-tert-butyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-1-(2-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione Traditional Name: 3-(1-tert-butyl-5-keto-3-phenyl-3-pyrazolin-4-yl)-1-(2-fluorophenyl)-4-morpholino-3-pyrroline-2,5-quinone Formula: C27H27FN4O4 MolecularWeight: 490.526083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC=CC=C4F)N5CCOCC5

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC=CC=C4F)N5CCOCC5

InChI

InChI=1S/C27H27FN4O4/c1-27(2,3)32-25(34)20(22(29-32)17-9-5-4-6-10-17)21-23(30-13-15-36-16-14-30)26(35)31(24(21)33)19-12-8-7-11-18(19)28/h4-12,29H,13-16H2,1-3H3