1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-indan-5-yl-butane-1,4-dione CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione Traditional Name: 1-indan-5-yl-4-(4-piperonylpiperazino)butane-1,4-dione Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H28N2O4/c28-22(21-6-5-19-2-1-3-20(19)15-21)7-9-25(29)27-12-10-26(11-13-27)16-18-4-8-23-24(14-18)31-17-30-23/h4-6,8,14-15H,1-3,7,9-13,16-17H2