1-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)heptane-1,4-dione

Systemtic Name: 1-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)heptane-1,4-dione Openeye Name: 1-(1H-benzimidazol-2-yl)-3-(p-tolyl)heptane-1,4-dione CAS Name: 1-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)heptane-1,4-dione IUPAC Name: 1-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)heptane-1,4-dione Traditional Name: 1-(1H-benzimidazol-2-yl)-3-(p-tolyl)heptane-1,4-dione Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(CC(=O)C1=NC2=CC=CC=C2N1)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC(=O)C(CC(=O)C1=NC2=CC=CC=C2N1)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H22N2O2/c1-3-6-19(24)16(15-11-9-14(2)10-12-15)13-20(25)21-22-17-7-4-5-8-18(17)23-21/h4-5,7-12,16H,3,6,13H2,1-2H3,(H,22,23)