5,5-dimethyl-2-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylidene]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylidene]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylene]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[[1-phenyl-3-(2,4,6-trimethylphenyl)-4-pyrazolyl]methylidene]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylidene]cyclohexane-1,3-dione Traditional Name: 2-[(3-mesityl-1-phenyl-pyrazol-4-yl)methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=NN(C=C2C=C3C(=O)CC(CC3=O)(C)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=NN(C=C2C=C3C(=O)CC(CC3=O)(C)C)C4=CC=CC=C4)C

InChI

InChI=1S/C27H28N2O2/c1-17-11-18(2)25(19(3)12-17)26-20(16-29(28-26)21-9-7-6-8-10-21)13-22-23(30)14-27(4,5)15-24(22)31/h6-13,16H,14-15H2,1-5H3