4-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione

Systemtic Name: 4-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2-(tetrahydrofuran-2-ylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[(2-ethoxyphenyl)methyl]-1-piperazinyl]-2-(2-oxolanylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-(2-ethoxybenzyl)piperazino]-2-(tetrahydrofurfuryl)isoindoline-1,3-quinone Formula: C26H31N3O4 MolecularWeight: 449.54204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5CCCO5

Isomeric SMILES

CCOC1=CC=CC=C1CN2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5CCCO5

InChI

InChI=1S/C26H31N3O4/c1-2-32-23-11-4-3-7-19(23)17-27-12-14-28(15-13-27)22-10-5-9-21-24(22)26(31)29(25(21)30)18-20-8-6-16-33-20/h3-5,7,9-11,20H,2,6,8,12-18H2,1H3