3-[[2-[1-(4-fluorophenyl)-2-piperazin-1-yl-ethyl]phenyl]amino]-3H-2-benzofuran-1-one

Systemtic Name: 3-[[2-[1-(4-fluorophenyl)-2-piperazin-1-yl-ethyl]phenyl]amino]-3H-2-benzofuran-1-one Openeye Name: 3-[2-[1-(4-fluorophenyl)-2-piperazin-1-yl-ethyl]anilino]-3H-isobenzofuran-1-one CAS Name: 3-[2-[1-(4-fluorophenyl)-2-(1-piperazinyl)ethyl]anilino]-3H-isobenzofuran-1-one IUPAC Name: 3-[2-[1-(4-fluorophenyl)-2-piperazin-1-ylethyl]anilino]-3H-2-benzofuran-1-one Traditional Name: 3-[2-[1-(4-fluorophenyl)-2-piperazino-ethyl]anilino]phthalide Formula: C26H26FN3O2 MolecularWeight: 431.501943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC(C2=CC=C(C=C2)F)C3=CC=CC=C3NC4C5=CC=CC=C5C(=O)O4

Isomeric SMILES

C1CN(CCN1)CC(C2=CC=C(C=C2)F)C3=CC=CC=C3NC4C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C26H26FN3O2/c27-19-11-9-18(10-12-19)23(17-30-15-13-28-14-16-30)20-5-3-4-8-24(20)29-25-21-6-1-2-7-22(21)26(31)32-25/h1-12,23,25,28-29H,13-17H2