3H-benzimidazol-5-yl-[4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]methanone

Systemtic Name: 3H-benzimidazol-5-yl-[4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]methanone Openeye Name: 3H-benzimidazol-5-yl-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]methanone CAS Name: 3H-benzimidazol-5-yl-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-piperazinyl]methanone IUPAC Name: 3H-benzimidazol-5-yl-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]methanone Traditional Name: 3H-benzimidazol-5-yl-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperazino]methanone Formula: C20H19ClN4O3 MolecularWeight: 398.84286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2Cl)OCO3)C(=O)C4=CC5=C(C=C4)N=CN5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2Cl)OCO3)C(=O)C4=CC5=C(C=C4)N=CN5

InChI

InChI=1S/C20H19ClN4O3/c21-15-9-19-18(27-12-28-19)8-14(15)10-24-3-5-25(6-4-24)20(26)13-1-2-16-17(7-13)23-11-22-16/h1-2,7-9,11H,3-6,10,12H2,(H,22,23)