4-(4-cyclopentylpiperazin-1-yl)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione

Systemtic Name: 4-(4-cyclopentylpiperazin-1-yl)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione Openeye Name: 4-(4-cyclopentylpiperazin-1-yl)-2-(tetrahydrofuran-2-ylmethyl)isoindoline-1,3-dione CAS Name: 4-(4-cyclopentyl-1-piperazinyl)-2-(2-oxolanylmethyl)isoindole-1,3-dione IUPAC Name: 4-(4-cyclopentylpiperazin-1-yl)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione Traditional Name: 4-(4-cyclopentylpiperazino)-2-(tetrahydrofurfuryl)isoindoline-1,3-quinone Formula: C22H29N3O3 MolecularWeight: 383.48396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5CCCO5

Isomeric SMILES

C1CCC(C1)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5CCCO5

InChI

InChI=1S/C22H29N3O3/c26-21-18-8-3-9-19(20(18)22(27)25(21)15-17-7-4-14-28-17)24-12-10-23(11-13-24)16-5-1-2-6-16/h3,8-9,16-17H,1-2,4-7,10-15H2