2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butoxy]phenyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-[4-(2-methoxyphenyl)piperazino]butoxy]phenyl]isoindoline-1,3-quinone Formula: C29H31N3O4 MolecularWeight: 485.57414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCCOC3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCOC3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C29H31N3O4/c1-35-27-11-5-4-10-26(27)31-19-17-30(18-20-31)16-6-7-21-36-23-14-12-22(13-15-23)32-28(33)24-8-2-3-9-25(24)29(32)34/h2-5,8-15H,6-7,16-21H2,1H3