N'-[4-(4-bromanylphenoxy)butanoyl]-1-ethyl-2-methyl-benzimidazole-5-carbohydrazide

Systemtic Name: N'-[4-(4-bromanylphenoxy)butanoyl]-1-ethyl-2-methyl-benzimidazole-5-carbohydrazide Openeye Name: N'-[4-(4-bromophenoxy)butanoyl]-1-ethyl-2-methyl-benzimidazole-5-carbohydrazide CAS Name: N'-[4-(4-bromophenoxy)-1-oxobutyl]-1-ethyl-2-methyl-5-benzimidazolecarbohydrazide IUPAC Name: N'-[4-(4-bromophenoxy)butanoyl]-1-ethyl-2-methylbenzimidazole-5-carbohydrazide Traditional Name: N'-[4-(4-bromophenoxy)butanoyl]-1-ethyl-2-methyl-benzimidazole-5-carbohydrazide Formula: C21H23BrN4O3 MolecularWeight: 459.33632

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=O)CCCOC3=CC=C(C=C3)Br)C

Isomeric SMILES

CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=O)CCCOC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H23BrN4O3/c1-3-26-14(2)23-18-13-15(6-11-19(18)26)21(28)25-24-20(27)5-4-12-29-17-9-7-16(22)8-10-17/h6-11,13H,3-5,12H2,1-2H3,(H,24,27)(H,25,28)