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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)-3-thiophen-3-yl-propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)-3-(3-thienyl)propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(1H-indol-3-yl)-3-(3-thiophenyl)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)-3-thiophen-3-ylpropan-1-one Traditional Name: 3-(1H-indol-3-yl)-1-(4-piperonylpiperazino)-3-(3-thienyl)propan-1-one Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC(C4=CSC=C4)C5=CNC6=CC=CC=C65

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC(C4=CSC=C4)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C27H27N3O3S/c31-27(14-22(20-7-12-34-17-20)23-15-28-24-4-2-1-3-21(23)24)30-10-8-29(9-11-30)16-19-5-6-25-26(13-19)33-18-32-25/h1-7,12-13,15,17,22,28H,8-11,14,16,18H2