1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(3-bromanylphenoxy)butan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(3-bromanylphenoxy)butan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(3-bromophenoxy)butan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-(3-bromophenoxy)-1-butanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(3-bromophenoxy)butan-1-one Traditional Name: 4-(3-bromophenoxy)-1-(4-piperonylpiperazino)butan-1-one Formula: C22H25BrN2O4 MolecularWeight: 461.3489

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCOC4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCOC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H25BrN2O4/c23-18-3-1-4-19(14-18)27-12-2-5-22(26)25-10-8-24(9-11-25)15-17-6-7-20-21(13-17)29-16-28-20/h1,3-4,6-7,13-14H,2,5,8-12,15-16H2