2-(4-chloranylphenoxy)-1-[5-(piperazin-1-ylmethyl)-1,3-benzodioxol-2-yl]ethanone

Systemtic Name: 2-(4-chloranylphenoxy)-1-[5-(piperazin-1-ylmethyl)-1,3-benzodioxol-2-yl]ethanone Openeye Name: 2-(4-chlorophenoxy)-1-[5-(piperazin-1-ylmethyl)-1,3-benzodioxol-2-yl]ethanone CAS Name: 2-(4-chlorophenoxy)-1-[5-(1-piperazinylmethyl)-1,3-benzodioxol-2-yl]ethanone IUPAC Name: 2-(4-chlorophenoxy)-1-[5-(piperazin-1-ylmethyl)-1,3-benzodioxol-2-yl]ethanone Traditional Name: 2-(4-chlorophenoxy)-1-[5-(piperazinomethyl)-1,3-benzodioxol-2-yl]ethanone Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=CC3=C(C=C2)OC(O3)C(=O)COC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1)CC2=CC3=C(C=C2)OC(O3)C(=O)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H21ClN2O4/c21-15-2-4-16(5-3-15)25-13-17(24)20-26-18-6-1-14(11-19(18)27-20)12-23-9-7-22-8-10-23/h1-6,11,20,22H,7-10,12-13H2