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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[1-(phenylmethyl)indol-3-yl]ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1-benzylindol-3-yl)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[1-(phenylmethyl)-3-indolyl]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1-benzylindol-3-yl)ethanone Traditional Name: 2-(1-benzylindol-3-yl)-1-(4-piperonylpiperazino)ethanone Formula: C29H29N3O3 MolecularWeight: 467.55886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC4=CN(C5=CC=CC=C54)CC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC4=CN(C5=CC=CC=C54)CC6=CC=CC=C6

InChI

InChI=1S/C29H29N3O3/c33-29(31-14-12-30(13-15-31)18-23-10-11-27-28(16-23)35-21-34-27)17-24-20-32(19-22-6-2-1-3-7-22)26-9-5-4-8-25(24)26/h1-11,16,20H,12-15,17-19,21H2