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

Systemtic Name: 1-[3,5-bis(pyrazol-1-ylmethyl)phenyl]-3-[4-(1,2,4-triazol-1-ylmethyl)pyridin-2-yl]propane-1,3-dione Openeye Name: 1-[3,5-bis(pyrazol-1-ylmethyl)phenyl]-3-[4-(1,2,4-triazol-1-ylmethyl)-2-pyridyl]propane-1,3-dione CAS Name: 1-[3,5-bis(1-pyrazolylmethyl)phenyl]-3-[4-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]propane-1,3-dione IUPAC Name: 1-[3,5-bis(pyrazol-1-ylmethyl)phenyl]-3-[4-(1,2,4-triazol-1-ylmethyl)pyridin-2-yl]propane-1,3-dione Traditional Name: 1-[3,5-bis(pyrazol-1-ylmethyl)phenyl]-3-[4-(1,2,4-triazol-1-ylmethyl)-2-pyridyl]propane-1,3-dione Formula: C25H22N8O2 MolecularWeight: 466.49458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CC2=CC(=CC(=C2)C(=O)CC(=O)C3=NC=CC(=C3)CN4C=NC=N4)CN5C=CC=N5

Isomeric SMILES

C1=CN(N=C1)CC2=CC(=CC(=C2)C(=O)CC(=O)C3=NC=CC(=C3)CN4C=NC=N4)CN5C=CC=N5

InChI

InChI=1S/C25H22N8O2/c34-24(13-25(35)23-12-19(3-6-27-23)14-33-18-26-17-30-33)22-10-20(15-31-7-1-4-28-31)9-21(11-22)16-32-8-2-5-29-32/h1-12,17-18H,13-16H2