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

Systemtic Name: 2-[[4-ethoxy-3-(4-phenylpiperazin-1-yl)carbonyl-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-ethoxy-3-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-ethoxy-3-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-ethoxy-3-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[4-ethoxy-3-(4-phenylpiperazine-1-carbonyl)benzyl]isoindoline-1,3-quinone Formula: C28H27N3O4 MolecularWeight: 469.53168

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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)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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