3-[1-(3-methylbutyl)-2-[(2-oxidanylidene-3H-benzimidazol-1-yl)methyl]benzimidazol-5-yl]-2H-1,2,4-oxadiazol-5-one

Systemtic Name: 3-[1-(3-methylbutyl)-2-[(2-oxidanylidene-3H-benzimidazol-1-yl)methyl]benzimidazol-5-yl]-2H-1,2,4-oxadiazol-5-one Openeye Name: 3-[1-isopentyl-2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzimidazol-5-yl]-2H-1,2,4-oxadiazol-5-one CAS Name: 3-[1-(3-methylbutyl)-2-[(2-oxo-3H-benzimidazol-1-yl)methyl]-5-benzimidazolyl]-2H-1,2,4-oxadiazol-5-one IUPAC Name: 3-[1-(3-methylbutyl)-2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzimidazol-5-yl]-2H-1,2,4-oxadiazol-5-one Traditional Name: 3-[1-isoamyl-2-[(2-keto-3H-benzimidazol-1-yl)methyl]benzimidazol-5-yl]-2H-1,2,4-oxadiazol-5-one Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)C3=NC(=O)ON3)N=C1CN4C5=CC=CC=C5NC4=O

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)C3=NC(=O)ON3)N=C1CN4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C22H22N6O3/c1-13(2)9-10-27-18-8-7-14(20-25-22(30)31-26-20)11-16(18)23-19(27)12-28-17-6-4-3-5-15(17)24-21(28)29/h3-8,11,13H,9-10,12H2,1-2H3,(H,24,29)(H,25,26,30)