4-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-(pyridin-2-ylmethyl)isoindole-1,3-dione

Systemtic Name: 4-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-(pyridin-2-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-(2-pyridylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[3-(4-methoxyphenyl)-1-oxopropyl]-1-piperazinyl]-2-(2-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-(pyridin-2-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-[3-(4-methoxyphenyl)propanoyl]piperazino]-2-(2-pyridylmethyl)isoindoline-1,3-quinone Formula: C28H28N4O4 MolecularWeight: 484.54632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=CC=N5

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=CC=N5

InChI

InChI=1S/C28H28N4O4/c1-36-22-11-8-20(9-12-22)10-13-25(33)31-17-15-30(16-18-31)24-7-4-6-23-26(24)28(35)32(27(23)34)19-21-5-2-3-14-29-21/h2-9,11-12,14H,10,13,15-19H2,1H3