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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-(1H-indol-3-yl)-1-butanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one Traditional Name: 4-(1H-indol-3-yl)-1-(4-piperonylpiperazino)butan-1-one Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCC4=CNC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C24H27N3O3/c28-24(7-3-4-19-15-25-21-6-2-1-5-20(19)21)27-12-10-26(11-13-27)16-18-8-9-22-23(14-18)30-17-29-22/h1-2,5-6,8-9,14-15,25H,3-4,7,10-13,16-17H2