2-[N-(1H-benzimidazol-2-ylmethyl)-C-methyl-carbonimidoyl]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[N-(1H-benzimidazol-2-ylmethyl)-C-methyl-carbonimidoyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[N-(1H-benzimidazol-2-ylmethyl)-C-methyl-carbonimidoyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[1-(1H-benzimidazol-2-ylmethylimino)ethyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[N-(1H-benzimidazol-2-ylmethyl)-C-methylcarbonimidoyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[N-(1H-benzimidazol-2-ylmethyl)-C-methyl-carbonimidoyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCC1=NC2=CC=CC=C2N1)C3C(=O)CC(CC3=O)(C)C

Isomeric SMILES

CC(=NCC1=NC2=CC=CC=C2N1)C3C(=O)CC(CC3=O)(C)C

InChI

InChI=1S/C18H21N3O2/c1-11(17-14(22)8-18(2,3)9-15(17)23)19-10-16-20-12-6-4-5-7-13(12)21-16/h4-7,17H,8-10H2,1-3H3,(H,20,21)