2-[[4-ethoxy-3-[4-(furan-2-ylmethyl)piperazin-1-yl]carbonyl-phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-ethoxy-3-[4-(furan-2-ylmethyl)piperazin-1-yl]carbonyl-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-ethoxy-3-[4-(2-furylmethyl)piperazine-1-carbonyl]phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-ethoxy-3-[[4-(2-furanylmethyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-ethoxy-3-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[4-ethoxy-3-[4-(2-furfuryl)piperazine-1-carbonyl]benzyl]isoindoline-1,3-quinone Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)CC5=CC=CO5

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)CC5=CC=CO5

InChI

InChI=1S/C27H27N3O5/c1-2-34-24-10-9-19(17-30-26(32)21-7-3-4-8-22(21)27(30)33)16-23(24)25(31)29-13-11-28(12-14-29)18-20-6-5-15-35-20/h3-10,15-16H,2,11-14,17-18H2,1H3