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

Systemtic Name: 2-(oxolan-2-ylmethyl)-4-[4-(3-phenylpropyl)piperazin-1-yl]isoindole-1,3-dione Openeye Name: 4-[4-(3-phenylpropyl)piperazin-1-yl]-2-(tetrahydrofuran-2-ylmethyl)isoindoline-1,3-dione CAS Name: 2-(2-oxolanylmethyl)-4-[4-(3-phenylpropyl)-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-(oxolan-2-ylmethyl)-4-[4-(3-phenylpropyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 4-[4-(3-phenylpropyl)piperazino]-2-(tetrahydrofurfuryl)isoindoline-1,3-quinone Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)CCCC5=CC=CC=C5

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)CCCC5=CC=CC=C5

InChI

InChI=1S/C26H31N3O3/c30-25-22-11-4-12-23(24(22)26(31)29(25)19-21-10-6-18-32-21)28-16-14-27(15-17-28)13-5-9-20-7-2-1-3-8-20/h1-4,7-8,11-12,21H,5-6,9-10,13-19H2