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

Systemtic Name: 1-[3,5-bis(pyrazol-1-ylmethyl)phenyl]-3-pyridin-2-yl-propane-1,3-dione Openeye Name: 1-[3,5-bis(pyrazol-1-ylmethyl)phenyl]-3-(2-pyridyl)propane-1,3-dione CAS Name: 1-[3,5-bis(1-pyrazolylmethyl)phenyl]-3-(2-pyridinyl)propane-1,3-dione IUPAC Name: 1-[3,5-bis(pyrazol-1-ylmethyl)phenyl]-3-pyridin-2-ylpropane-1,3-dione Traditional Name: 1-[3,5-bis(pyrazol-1-ylmethyl)phenyl]-3-(2-pyridyl)propane-1,3-dione Formula: C22H19N5O2 MolecularWeight: 385.41856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O2/c28-21(14-22(29)20-5-1-2-6-23-20)19-12-17(15-26-9-3-7-24-26)11-18(13-19)16-27-10-4-8-25-27/h1-13H,14-16H2