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

Systemtic Name: 2-[[(2R)-oxolan-2-yl]methyl]-4-[4-(quinolin-4-ylmethyl)piperazin-1-yl]isoindole-1,3-dione Openeye Name: 4-[4-(4-quinolylmethyl)piperazin-1-yl]-2-[[(2R)-tetrahydrofuran-2-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[(2R)-2-oxolanyl]methyl]-4-[4-(4-quinolinylmethyl)-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-[[(2R)-oxolan-2-yl]methyl]-4-[4-(quinolin-4-ylmethyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 4-[4-(4-quinolylmethyl)piperazino]-2-[[(2R)-tetrahydrofuran-2-yl]methyl]isoindoline-1,3-quinone Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)CC5=CC=NC6=CC=CC=C56

Isomeric SMILES

C1C[C@@H](OC1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)CC5=CC=NC6=CC=CC=C56

InChI

InChI=1S/C27H28N4O3/c32-26-22-7-3-9-24(25(22)27(33)31(26)18-20-5-4-16-34-20)30-14-12-29(13-15-30)17-19-10-11-28-23-8-2-1-6-21(19)23/h1-3,6-11,20H,4-5,12-18H2/t20-/m1/s1