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

Systemtic Name: 3-[[2-[1-(4-methoxyphenyl)-2-piperazin-1-yl-ethyl]phenyl]amino]-3H-2-benzofuran-1-one Openeye Name: 3-[2-[1-(4-methoxyphenyl)-2-piperazin-1-yl-ethyl]anilino]-3H-isobenzofuran-1-one CAS Name: 3-[2-[1-(4-methoxyphenyl)-2-(1-piperazinyl)ethyl]anilino]-3H-isobenzofuran-1-one IUPAC Name: 3-[2-[1-(4-methoxyphenyl)-2-piperazin-1-ylethyl]anilino]-3H-2-benzofuran-1-one Traditional Name: 3-[2-[1-(4-methoxyphenyl)-2-piperazino-ethyl]anilino]phthalide Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CN2CCNCC2)C3=CC=CC=C3NC4C5=CC=CC=C5C(=O)O4

Isomeric SMILES

COC1=CC=C(C=C1)C(CN2CCNCC2)C3=CC=CC=C3NC4C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C27H29N3O3/c1-32-20-12-10-19(11-13-20)24(18-30-16-14-28-15-17-30)21-6-4-5-9-25(21)29-26-22-7-2-3-8-23(22)27(31)33-26/h2-13,24,26,28-29H,14-18H2,1H3