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

Systemtic Name: 3-[2-[4-(3H-1,2-benzodioxol-6-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-phenyl-1-benzofuran-2-one hydrochloride Openeye Name: 3-[2-[4-(3H-1,2-benzodioxol-6-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-3-phenyl-benzofuran-2-one hydrochloride CAS Name: 3-[2-[4-(3H-1,2-benzodioxol-6-ylmethyl)-1-piperazinyl]-2-oxoethyl]-3-phenyl-2-benzofuranone hydrochloride IUPAC Name: 3-[2-[4-(3H-1,2-benzodioxol-6-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3-phenyl-1-benzofuran-2-one hydrochloride Traditional Name: 3-[2-[4-(3H-1,2-benzodioxol-6-ylmethyl)piperazino]-2-keto-ethyl]-3-phenyl-coumaran-2-one hydrochloride Formula: C28H27ClN2O5 MolecularWeight: 506.97738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(COO3)C=C2)C(=O)CC4(C5=CC=CC=C5OC4=O)C6=CC=CC=C6.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(COO3)C=C2)C(=O)CC4(C5=CC=CC=C5OC4=O)C6=CC=CC=C6.Cl

InChI

InChI=1S/C28H26N2O5.ClH/c31-26(30-14-12-29(13-15-30)18-20-10-11-21-19-33-35-25(21)16-20)17-28(22-6-2-1-3-7-22)23-8-4-5-9-24(23)34-27(28)32;/h1-11,16H,12-15,17-19H2;1H