3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-propyl-1-benzofuran-2-one hydrochloride

Systemtic Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-propyl-1-benzofuran-2-one hydrochloride Openeye Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-3-propyl-benzofuran-2-one hydrochloride CAS Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-3-propyl-2-benzofuranone hydrochloride IUPAC Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3-propyl-1-benzofuran-2-one hydrochloride Traditional Name: 3-[2-keto-2-(4-piperonylpiperazino)ethyl]-3-propyl-coumaran-2-one hydrochloride Formula: C25H29ClN2O5 MolecularWeight: 472.96116

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=CC=CC=C2OC1=O)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5.Cl

Isomeric SMILES

CCCC1(C2=CC=CC=C2OC1=O)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5.Cl

InChI

InChI=1S/C25H28N2O5.ClH/c1-2-9-25(19-5-3-4-6-20(19)32-24(25)29)15-23(28)27-12-10-26(11-13-27)16-18-7-8-21-22(14-18)31-17-30-21;/h3-8,14H,2,9-13,15-17H2,1H3;1H