2-(oxolan-2-ylmethyl)-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-(oxolan-2-ylmethyl)-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 5-(4-benzylpiperazine-1-carbonyl)-2-(tetrahydrofuran-2-ylmethyl)isoindoline-1,3-dione CAS Name: 2-(2-oxolanylmethyl)-5-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 5-(4-benzylpiperazine-1-carbonyl)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione Traditional Name: 5-(4-benzylpiperazine-1-carbonyl)-2-(tetrahydrofurfuryl)isoindoline-1,3-quinone Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C25H27N3O4/c29-23(27-12-10-26(11-13-27)16-18-5-2-1-3-6-18)19-8-9-21-22(15-19)25(31)28(24(21)30)17-20-7-4-14-32-20/h1-3,5-6,8-9,15,20H,4,7,10-14,16-17H2