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

Systemtic Name: 2-[[3-(4-ethanoylpiperazin-1-yl)carbonyl-4-methoxy-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-(4-acetylpiperazine-1-carbonyl)-4-methoxy-phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-methoxyphenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-(4-acetylpiperazine-1-carbonyl)-4-methoxyphenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[3-(4-acetylpiperazine-1-carbonyl)-4-methoxy-benzyl]isoindoline-1,3-quinone Formula: C23H23N3O5 MolecularWeight: 421.44582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CN3C(=O)C4=CC=CC=C4C3=O)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CN3C(=O)C4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C23H23N3O5/c1-15(27)24-9-11-25(12-10-24)21(28)19-13-16(7-8-20(19)31-2)14-26-22(29)17-5-3-4-6-18(17)23(26)30/h3-8,13H,9-12,14H2,1-2H3