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

Systemtic Name: 2-[[4-ethoxy-3-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-(4-benzoylpiperazine-1-carbonyl)-4-ethoxy-phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-[(4-benzoyl-1-piperazinyl)-oxomethyl]-4-ethoxyphenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-(4-benzoylpiperazine-1-carbonyl)-4-ethoxyphenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[3-(4-benzoylpiperazine-1-carbonyl)-4-ethoxy-benzyl]isoindoline-1,3-quinone Formula: C29H27N3O5 MolecularWeight: 497.54178

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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)C(=O)C5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H27N3O5/c1-2-37-25-13-12-20(19-32-28(35)22-10-6-7-11-23(22)29(32)36)18-24(25)27(34)31-16-14-30(15-17-31)26(33)21-8-4-3-5-9-21/h3-13,18H,2,14-17,19H2,1H3