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

Systemtic Name: 1-[3-(phenylmethyl)phenyl]-3-[4-(pyrazol-1-ylmethyl)pyridin-2-yl]propane-1,3-dione Openeye Name: 1-(3-benzylphenyl)-3-[4-(pyrazol-1-ylmethyl)-2-pyridyl]propane-1,3-dione CAS Name: 1-[3-(phenylmethyl)phenyl]-3-[4-(1-pyrazolylmethyl)-2-pyridinyl]propane-1,3-dione IUPAC Name: 1-(3-benzylphenyl)-3-[4-(pyrazol-1-ylmethyl)pyridin-2-yl]propane-1,3-dione Traditional Name: 1-(3-benzylphenyl)-3-[4-(pyrazol-1-ylmethyl)-2-pyridyl]propane-1,3-dione Formula: C25H21N3O2 MolecularWeight: 395.45314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC(=C2)C(=O)CC(=O)C3=NC=CC(=C3)CN4C=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC(=C2)C(=O)CC(=O)C3=NC=CC(=C3)CN4C=CC=N4

InChI

InChI=1S/C25H21N3O2/c29-24(22-9-4-8-20(15-22)14-19-6-2-1-3-7-19)17-25(30)23-16-21(10-12-26-23)18-28-13-5-11-27-28/h1-13,15-16H,14,17-18H2