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

Systemtic Name: 4-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]-2-(3-thienylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[(2-hydroxyphenyl)methyl]-1-piperazinyl]-2-(3-thiophenylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione Traditional Name: 4-(4-salicylpiperazino)-2-(3-thenyl)isoindoline-1,3-quinone Formula: C24H23N3O3S MolecularWeight: 433.52272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2O)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CSC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2O)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CSC=C5

InChI

InChI=1S/C24H23N3O3S/c28-21-7-2-1-4-18(21)15-25-9-11-26(12-10-25)20-6-3-5-19-22(20)24(30)27(23(19)29)14-17-8-13-31-16-17/h1-8,13,16,28H,9-12,14-15H2