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

Systemtic Name: 3H-benzimidazol-5-yl-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone Openeye Name: 3H-benzimidazol-5-yl-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone CAS Name: 3H-benzimidazol-5-yl-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methanone IUPAC Name: 3H-benzimidazol-5-yl-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone Traditional Name: 3H-benzimidazol-5-yl-(4-piperonylpiperazino)methanone Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)N=CN5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)N=CN5

InChI

InChI=1S/C20H20N4O3/c25-20(15-2-3-16-17(10-15)22-12-21-16)24-7-5-23(6-8-24)11-14-1-4-18-19(9-14)27-13-26-18/h1-4,9-10,12H,5-8,11,13H2,(H,21,22)