1-(5-bromanylpyridin-2-yl)-3-[3-(phenylmethyl)phenyl]propane-1,3-dione

Systemtic Name: 1-(5-bromanylpyridin-2-yl)-3-[3-(phenylmethyl)phenyl]propane-1,3-dione Openeye Name: 1-(3-benzylphenyl)-3-(5-bromo-2-pyridyl)propane-1,3-dione CAS Name: 1-(5-bromo-2-pyridinyl)-3-[3-(phenylmethyl)phenyl]propane-1,3-dione IUPAC Name: 1-(3-benzylphenyl)-3-(5-bromopyridin-2-yl)propane-1,3-dione Traditional Name: 1-(3-benzylphenyl)-3-(5-bromo-2-pyridyl)propane-1,3-dione Formula: C21H16BrNO2 MolecularWeight: 394.26124

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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=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC(=C2)C(=O)CC(=O)C3=NC=C(C=C3)Br

InChI

InChI=1S/C21H16BrNO2/c22-18-9-10-19(23-14-18)21(25)13-20(24)17-8-4-7-16(12-17)11-15-5-2-1-3-6-15/h1-10,12,14H,11,13H2