1-[3,5-bis(pyrazol-1-ylmethyl)phenyl]-3-(4-methylpyridin-2-yl)propane-1,3-dione

Systemtic Name: 1-[3,5-bis(pyrazol-1-ylmethyl)phenyl]-3-(4-methylpyridin-2-yl)propane-1,3-dione Openeye Name: 1-[3,5-bis(pyrazol-1-ylmethyl)phenyl]-3-(4-methyl-2-pyridyl)propane-1,3-dione CAS Name: 1-[3,5-bis(1-pyrazolylmethyl)phenyl]-3-(4-methyl-2-pyridinyl)propane-1,3-dione IUPAC Name: 1-[3,5-bis(pyrazol-1-ylmethyl)phenyl]-3-(4-methylpyridin-2-yl)propane-1,3-dione Traditional Name: 1-[3,5-bis(pyrazol-1-ylmethyl)phenyl]-3-(4-methyl-2-pyridyl)propane-1,3-dione Formula: C23H21N5O2 MolecularWeight: 399.44514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C(=O)CC(=O)C2=CC(=CC(=C2)CN3C=CC=N3)CN4C=CC=N4

Isomeric SMILES

CC1=CC(=NC=C1)C(=O)CC(=O)C2=CC(=CC(=C2)CN3C=CC=N3)CN4C=CC=N4

InChI

InChI=1S/C23H21N5O2/c1-17-4-7-24-21(10-17)23(30)14-22(29)20-12-18(15-27-8-2-5-25-27)11-19(13-20)16-28-9-3-6-26-28/h2-13H,14-16H2,1H3