2-[3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]carbonylphenyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]carbonylphenyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]isoindoline-1,3-dione CAS Name: 2-[3-[[4-[(3-methoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]phenyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]isoindole-1,3-dione Traditional Name: 2-[3-(4-m-anisylpiperazine-1-carbonyl)phenyl]isoindoline-1,3-quinone Formula: C27H25N3O4 MolecularWeight: 455.5051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

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