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

Systemtic Name: 1-(4-methylpyridin-2-yl)-3-[3-(phenylmethyl)-5-pyrimidin-2-yl-phenyl]propane-1,3-dione Openeye Name: 1-(3-benzyl-5-pyrimidin-2-yl-phenyl)-3-(4-methyl-2-pyridyl)propane-1,3-dione CAS Name: 1-(4-methyl-2-pyridinyl)-3-[3-(phenylmethyl)-5-(2-pyrimidinyl)phenyl]propane-1,3-dione IUPAC Name: 1-(3-benzyl-5-pyrimidin-2-ylphenyl)-3-(4-methylpyridin-2-yl)propane-1,3-dione Traditional Name: 1-[3-benzyl-5-(2-pyrimidyl)phenyl]-3-(4-methyl-2-pyridyl)propane-1,3-dione Formula: C26H21N3O2 MolecularWeight: 407.46384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C(=O)CC(=O)C2=CC(=CC(=C2)C3=NC=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC=C1)C(=O)CC(=O)C2=CC(=CC(=C2)C3=NC=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C26H21N3O2/c1-18-8-11-27-23(12-18)25(31)17-24(30)21-14-20(13-19-6-3-2-4-7-19)15-22(16-21)26-28-9-5-10-29-26/h2-12,14-16H,13,17H2,1H3