3-[2-[4-(3H-1,2-benzodioxol-6-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-5-chloranyl-3-phenyl-1-benzofuran-2-one

Systemtic Name: 3-[2-[4-(3H-1,2-benzodioxol-6-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-5-chloranyl-3-phenyl-1-benzofuran-2-one Openeye Name: 3-[2-[4-(3H-1,2-benzodioxol-6-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-5-chloro-3-phenyl-benzofuran-2-one CAS Name: 3-[2-[4-(3H-1,2-benzodioxol-6-ylmethyl)-1-piperazinyl]-2-oxoethyl]-5-chloro-3-phenyl-2-benzofuranone IUPAC Name: 3-[2-[4-(3H-1,2-benzodioxol-6-ylmethyl)piperazin-1-yl]-2-oxoethyl]-5-chloro-3-phenyl-1-benzofuran-2-one Traditional Name: 3-[2-[4-(3H-1,2-benzodioxol-6-ylmethyl)piperazino]-2-keto-ethyl]-5-chloro-3-phenyl-coumaran-2-one Formula: C28H25ClN2O5 MolecularWeight: 504.9615

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(COO3)C=C2)C(=O)CC4(C5=C(C=CC(=C5)Cl)OC4=O)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(COO3)C=C2)C(=O)CC4(C5=C(C=CC(=C5)Cl)OC4=O)C6=CC=CC=C6

InChI

InChI=1S/C28H25ClN2O5/c29-22-8-9-24-23(15-22)28(27(33)35-24,21-4-2-1-3-5-21)16-26(32)31-12-10-30(11-13-31)17-19-6-7-20-18-34-36-25(20)14-19/h1-9,14-15H,10-13,16-18H2