2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(6-bromanyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(6-bromanyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide Traditional Name: N-(6-bromo-2-keto-1,3-dihydrobenzimidazol-5-yl)-2-(4-piperonylpiperazino)acetamide Formula: C21H22BrN5O4 MolecularWeight: 488.33448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=C(C=C5C(=C4)NC(=O)N5)Br

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=C(C=C5C(=C4)NC(=O)N5)Br

InChI

InChI=1S/C21H22BrN5O4/c22-14-8-16-17(25-21(29)24-16)9-15(14)23-20(28)11-27-5-3-26(4-6-27)10-13-1-2-18-19(7-13)31-12-30-18/h1-2,7-9H,3-6,10-12H2,(H,23,28)(H2,24,25,29)