3-(1H-benzimidazol-2-ylmethylamino)-2-ethanoyl-5,5-dimethyl-cyclohex-2-en-1-one

Systemtic Name: 3-(1H-benzimidazol-2-ylmethylamino)-2-ethanoyl-5,5-dimethyl-cyclohex-2-en-1-one Openeye Name: 2-acetyl-3-(1H-benzimidazol-2-ylmethylamino)-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 2-acetyl-3-(1H-benzimidazol-2-ylmethylamino)-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 2-acetyl-3-(1H-benzimidazol-2-ylmethylamino)-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 2-acetyl-3-(1H-benzimidazol-2-ylmethylamino)-5,5-dimethyl-cyclohex-2-en-1-one Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(CC(CC1=O)(C)C)NCC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(=O)C1=C(CC(CC1=O)(C)C)NCC2=NC3=CC=CC=C3N2

InChI

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