3-[2-[4-(3H-1,2-benzodioxol-6-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3H-1-benzofuran-2-one

Systemtic Name: 3-[2-[4-(3H-1,2-benzodioxol-6-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3H-1-benzofuran-2-one Openeye Name: 3-[2-[4-(3H-1,2-benzodioxol-6-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-3H-benzofuran-2-one CAS Name: 3-[2-[4-(3H-1,2-benzodioxol-6-ylmethyl)-1-piperazinyl]-2-oxoethyl]-3H-benzofuran-2-one IUPAC Name: 3-[2-[4-(3H-1,2-benzodioxol-6-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3H-1-benzofuran-2-one Traditional Name: 3-[2-[4-(3H-1,2-benzodioxol-6-ylmethyl)piperazino]-2-keto-ethyl]coumaran-2-one Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(COO3)C=C2)C(=O)CC4C5=CC=CC=C5OC4=O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(COO3)C=C2)C(=O)CC4C5=CC=CC=C5OC4=O

InChI

InChI=1S/C22H22N2O5/c25-21(12-18-17-3-1-2-4-19(17)28-22(18)26)24-9-7-23(8-10-24)13-15-5-6-16-14-27-29-20(16)11-15/h1-6,11,18H,7-10,12-14H2