3-(1H-benzimidazol-2-ylamino)-5,5-dimethyl-2-pentanoyl-cyclohex-2-en-1-one

Systemtic Name: 3-(1H-benzimidazol-2-ylamino)-5,5-dimethyl-2-pentanoyl-cyclohex-2-en-1-one Openeye Name: 3-(1H-benzimidazol-2-ylamino)-5,5-dimethyl-2-pentanoyl-cyclohex-2-en-1-one CAS Name: 3-(1H-benzimidazol-2-ylamino)-5,5-dimethyl-2-(1-oxopentyl)-1-cyclohex-2-enone IUPAC Name: 3-(1H-benzimidazol-2-ylamino)-5,5-dimethyl-2-pentanoylcyclohex-2-en-1-one Traditional Name: 3-(1H-benzimidazol-2-ylamino)-5,5-dimethyl-2-valeryl-cyclohex-2-en-1-one Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(CC(CC1=O)(C)C)NC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCCCC(=O)C1=C(CC(CC1=O)(C)C)NC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H25N3O2/c1-4-5-10-16(24)18-15(11-20(2,3)12-17(18)25)23-19-21-13-8-6-7-9-14(13)22-19/h6-9H,4-5,10-12H2,1-3H3,(H2,21,22,23)