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

Systemtic Name: 3-(1H-benzimidazol-2-ylamino)-2-butanoyl-5,5-dimethyl-cyclohex-2-en-1-one Openeye Name: 3-(1H-benzimidazol-2-ylamino)-2-butanoyl-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-(1H-benzimidazol-2-ylamino)-5,5-dimethyl-2-(1-oxobutyl)-1-cyclohex-2-enone IUPAC Name: 3-(1H-benzimidazol-2-ylamino)-2-butanoyl-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 3-(1H-benzimidazol-2-ylamino)-2-butyryl-5,5-dimethyl-cyclohex-2-en-1-one Formula: C19H23N3O2 MolecularWeight: 325.40482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O2/c1-4-7-15(23)17-14(10-19(2,3)11-16(17)24)22-18-20-12-8-5-6-9-13(12)21-18/h5-6,8-9H,4,7,10-11H2,1-3H3,(H2,20,21,22)