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

Systemtic Name: 4-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]-2-(tetrahydrofuran-2-ylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[(2-hydroxyphenyl)methyl]-1-piperazinyl]-2-(2-oxolanylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]-2-(oxolan-2-ylmethyl)isoindole-1,3-dione Traditional Name: 4-(4-salicylpiperazino)-2-(tetrahydrofurfuryl)isoindoline-1,3-quinone Formula: C24H27N3O4 MolecularWeight: 421.48888

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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=CC=C5O

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)CC5=CC=CC=C5O

InChI

InChI=1S/C24H27N3O4/c28-21-9-2-1-5-17(21)15-25-10-12-26(13-11-25)20-8-3-7-19-22(20)24(30)27(23(19)29)16-18-6-4-14-31-18/h1-3,5,7-9,18,28H,4,6,10-16H2