3,3,6,6-tetramethyl-9-(5-phenyl-1H-pyrazol-4-yl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione

Systemtic Name: 3,3,6,6-tetramethyl-9-(5-phenyl-1H-pyrazol-4-yl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Openeye Name: 3,3,6,6-tetramethyl-9-(5-phenyl-1H-pyrazol-4-yl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione CAS Name: 3,3,6,6-tetramethyl-9-(5-phenyl-1H-pyrazol-4-yl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione IUPAC Name: 3,3,6,6-tetramethyl-9-(5-phenyl-1H-pyrazol-4-yl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Traditional Name: 3,3,6,6-tetramethyl-9-(5-phenyl-1H-pyrazol-4-yl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-quinone Formula: C26H28N2O3 MolecularWeight: 416.51212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=C(NN=C4)C5=CC=CC=C5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=C(NN=C4)C5=CC=CC=C5)C(=O)C1)C

InChI

InChI=1S/C26H28N2O3/c1-25(2)10-17(29)22-19(12-25)31-20-13-26(3,4)11-18(30)23(20)21(22)16-14-27-28-24(16)15-8-6-5-7-9-15/h5-9,14,21H,10-13H2,1-4H3,(H,27,28)