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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O2/c1-18(2)19-10-12-20(13-11-19)26-21(17-29(28-26)22-8-6-5-7-9-22)14-23-24(30)15-27(3,4)16-25(23)31/h5-14,17-18H,15-16H2,1-4H3