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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4/c1-34-24-12-11-19(18-30-26(32)21-9-5-6-10-22(21)27(30)33)17-23(24)25(31)29-15-13-28(14-16-29)20-7-3-2-4-8-20/h2-12,17H,13-16,18H2,1H3