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

Systemtic Name: 3,3,6,6-tetramethyl-9-(1-methylpyrazol-4-yl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Openeye Name: 3,3,6,6-tetramethyl-9-(1-methylpyrazol-4-yl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione CAS Name: 3,3,6,6-tetramethyl-9-(1-methyl-4-pyrazolyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione IUPAC Name: 3,3,6,6-tetramethyl-9-(1-methylpyrazol-4-yl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Traditional Name: 3,3,6,6-tetramethyl-9-(1-methylpyrazol-4-yl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-quinone Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CN(N=C4)C)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CN(N=C4)C)C(=O)C1)C

InChI

InChI=1S/C21H26N2O3/c1-20(2)6-13(24)18-15(8-20)26-16-9-21(3,4)7-14(25)19(16)17(18)12-10-22-23(5)11-12/h10-11,17H,6-9H2,1-5H3