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

Systemtic Name: 9-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C24H24N2O3 MolecularWeight: 388.45896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C4=C(CCCC4=O)OC5=C3C(=O)CCC5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C4=C(CCCC4=O)OC5=C3C(=O)CCC5

InChI

InChI=1S/C24H24N2O3/c1-14-21(15(2)26(25-14)16-8-4-3-5-9-16)24-22-17(27)10-6-12-19(22)29-20-13-7-11-18(28)23(20)24/h3-5,8-9,24H,6-7,10-13H2,1-2H3