5-chloranyl-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-3-phenyl-1-benzofuran-2-one

Systemtic Name: 5-chloranyl-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-3-phenyl-1-benzofuran-2-one Openeye Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-5-chloro-3-phenyl-benzofuran-2-one CAS Name: 5-chloro-3-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-3-phenyl-2-benzofuranone IUPAC Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5-chloro-3-phenyl-1-benzofuran-2-one Traditional Name: 3-[2-(4-benzylpiperazino)-2-keto-ethyl]-5-chloro-3-phenyl-coumaran-2-one Formula: C27H25ClN2O3 MolecularWeight: 460.952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CC3(C4=C(C=CC(=C4)Cl)OC3=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CC3(C4=C(C=CC(=C4)Cl)OC3=O)C5=CC=CC=C5

InChI

InChI=1S/C27H25ClN2O3/c28-22-11-12-24-23(17-22)27(26(32)33-24,21-9-5-2-6-10-21)18-25(31)30-15-13-29(14-16-30)19-20-7-3-1-4-8-20/h1-12,17H,13-16,18-19H2