3-[4-methyl-1-[6-[(E)-N'-oxidanylcarbamimidoyl]-1H-benzimidazol-2-yl]pentyl]-N-oxidanylidene-1,2-dihydrobenzotriazole-5-carboximidamide

Systemtic Name: 3-[4-methyl-1-[6-[(E)-N'-oxidanylcarbamimidoyl]-1H-benzimidazol-2-yl]pentyl]-N-oxidanylidene-1,2-dihydrobenzotriazole-5-carboximidamide Openeye Name: 3-[1-[6-[(E)-N'-hydroxycarbamimidoyl]-1H-benzimidazol-2-yl]-4-methyl-pentyl]-N-oxo-1,2-dihydrobenzotriazole-5-carboxamidine CAS Name: 3-[1-[6-[(E)-amino(hydroxyimino)methyl]-1H-benzimidazol-2-yl]-4-methylpentyl]-N-oxo-1,2-dihydrobenzotriazole-5-carboximidamide IUPAC Name: 3-[1-[6-[(E)-N'-hydroxycarbamimidoyl]-1H-benzimidazol-2-yl]-4-methylpentyl]-N-oxo-1,2-dihydrobenzotriazole-5-carboximidamide Traditional Name: 3-[1-[6-[(E)-aminocarbohydroximoyl]-1H-benzimidazol-2-yl]-4-methyl-pentyl]-N-keto-1,2-dihydrobenzotriazole-5-carboxamidine Formula: C21H25N9O2 MolecularWeight: 435.4823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C1=NC2=C(N1)C=C(C=C2)C(=NO)N)N3C4=C(C=CC(=C4)C(=N)N=O)NN3

Isomeric SMILES

CC(C)CCC(C1=NC2=C(N1)C=C(C=C2)/C(=N\O)/N)N3C4=C(C=CC(=C4)C(=N)N=O)NN3

InChI

InChI=1S/C21H25N9O2/c1-11(2)3-8-17(21-24-14-6-4-12(19(22)27-31)9-16(14)25-21)30-18-10-13(20(23)28-32)5-7-15(18)26-29-30/h4-7,9-11,17,23,26,29,31H,3,8H2,1-2H3,(H2,22,27)(H,24,25)