1-[3,5-bis[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-pyridin-2-yl-propane-1,3-dione

Systemtic Name: 1-[3,5-bis[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-pyridin-2-yl-propane-1,3-dione Openeye Name: 1-[3,5-bis[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-pyridyl)propane-1,3-dione CAS Name: 1-[3,5-bis[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-3-(2-pyridinyl)propane-1,3-dione IUPAC Name: 1-[3,5-bis[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-pyridin-2-ylpropane-1,3-dione Traditional Name: 1-[3,5-bis[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-pyridyl)propane-1,3-dione Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC(=CC(=C2)C(=O)CC(=O)C3=CC=CC=N3)CN4C(=CC(=N4)C)C)C

Isomeric SMILES

CC1=CC(=NN1CC2=CC(=CC(=C2)C(=O)CC(=O)C3=CC=CC=N3)CN4C(=CC(=N4)C)C)C

InChI

InChI=1S/C26H27N5O2/c1-17-9-19(3)30(28-17)15-21-11-22(16-31-20(4)10-18(2)29-31)13-23(12-21)25(32)14-26(33)24-7-5-6-8-27-24/h5-13H,14-16H2,1-4H3