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

Systemtic Name: 1-(4-methylpyridin-2-yl)-3-[3-(phenylmethyl)-5-(pyrazol-1-ylmethyl)phenyl]propane-1,3-dione Openeye Name: 1-[3-benzyl-5-(pyrazol-1-ylmethyl)phenyl]-3-(4-methyl-2-pyridyl)propane-1,3-dione CAS Name: 1-(4-methyl-2-pyridinyl)-3-[3-(phenylmethyl)-5-(1-pyrazolylmethyl)phenyl]propane-1,3-dione IUPAC Name: 1-[3-benzyl-5-(pyrazol-1-ylmethyl)phenyl]-3-(4-methylpyridin-2-yl)propane-1,3-dione Traditional Name: 1-[3-benzyl-5-(pyrazol-1-ylmethyl)phenyl]-3-(4-methyl-2-pyridyl)propane-1,3-dione Formula: C26H23N3O2 MolecularWeight: 409.47972

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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)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC=C1)C(=O)CC(=O)C2=CC(=CC(=C2)CN3C=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C26H23N3O2/c1-19-8-10-27-24(12-19)26(31)17-25(30)23-15-21(13-20-6-3-2-4-7-20)14-22(16-23)18-29-11-5-9-28-29/h2-12,14-16H,13,17-18H2,1H3