2-(4-ethoxyphenyl)-5-(4-phenylpiperazin-1-yl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-(4-ethoxyphenyl)-5-(4-phenylpiperazin-1-yl)carbonyl-isoindole-1,3-dione Openeye Name: 2-(4-ethoxyphenyl)-5-(4-phenylpiperazine-1-carbonyl)isoindoline-1,3-dione CAS Name: 2-(4-ethoxyphenyl)-5-[oxo-(4-phenyl-1-piperazinyl)methyl]isoindole-1,3-dione IUPAC Name: 2-(4-ethoxyphenyl)-5-(4-phenylpiperazine-1-carbonyl)isoindole-1,3-dione Traditional Name: 5-(4-phenylpiperazine-1-carbonyl)-2-p-phenetyl-isoindoline-1,3-quinone Formula: C27H25N3O4 MolecularWeight: 455.5051

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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)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O4/c1-2-34-22-11-9-21(10-12-22)30-26(32)23-13-8-19(18-24(23)27(30)33)25(31)29-16-14-28(15-17-29)20-6-4-3-5-7-20/h3-13,18H,2,14-17H2,1H3