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

Systemtic Name: 3-[[2-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]phenyl]amino]-3H-2-benzofuran-1-one Openeye Name: 3-[2-[2-[4-(o-tolyl)piperazin-1-yl]ethyl]anilino]-3H-isobenzofuran-1-one CAS Name: 3-[2-[2-[4-(2-methylphenyl)-1-piperazinyl]ethyl]anilino]-3H-isobenzofuran-1-one IUPAC Name: 3-[2-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]anilino]-3H-2-benzofuran-1-one Traditional Name: 3-[2-[2-[4-(o-tolyl)piperazino]ethyl]anilino]phthalide Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CCC3=CC=CC=C3NC4C5=CC=CC=C5C(=O)O4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CCC3=CC=CC=C3NC4C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C27H29N3O2/c1-20-8-2-7-13-25(20)30-18-16-29(17-19-30)15-14-21-9-3-6-12-24(21)28-26-22-10-4-5-11-23(22)27(31)32-26/h2-13,26,28H,14-19H2,1H3