2-(4-ethoxyphenyl)-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-(4-ethoxyphenyl)-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 5-(4-benzylpiperazine-1-carbonyl)-2-(4-ethoxyphenyl)isoindoline-1,3-dione CAS Name: 2-(4-ethoxyphenyl)-5-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 5-(4-benzylpiperazine-1-carbonyl)-2-(4-ethoxyphenyl)isoindole-1,3-dione Traditional Name: 5-(4-benzylpiperazine-1-carbonyl)-2-p-phenetyl-isoindoline-1,3-quinone Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O4/c1-2-35-23-11-9-22(10-12-23)31-27(33)24-13-8-21(18-25(24)28(31)34)26(32)30-16-14-29(15-17-30)19-20-6-4-3-5-7-20/h3-13,18H,2,14-17,19H2,1H3