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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(5-methoxyindol-1-yl)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(5-methoxyindol-1-yl)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(5-methoxy-1-indolyl)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(5-methoxyindol-1-yl)ethanone Traditional Name: 2-(5-methoxyindol-1-yl)-1-(4-piperonylpiperazino)ethanone Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H25N3O4/c1-28-19-3-4-20-18(13-19)6-7-26(20)15-23(27)25-10-8-24(9-11-25)14-17-2-5-21-22(12-17)30-16-29-21/h2-7,12-13H,8-11,14-16H2,1H3