4-[4-[(5-methoxy-2-oxidanyl-phenyl)methyl]piperazin-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione

Systemtic Name: 4-[4-[(5-methoxy-2-oxidanyl-phenyl)methyl]piperazin-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-[(2-hydroxy-5-methoxy-phenyl)methyl]piperazin-1-yl]-2-(3-thienylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[(2-hydroxy-5-methoxyphenyl)methyl]-1-piperazinyl]-2-(3-thiophenylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-[(2-hydroxy-5-methoxyphenyl)methyl]piperazin-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-(2-hydroxy-5-methoxy-benzyl)piperazino]-2-(3-thenyl)isoindoline-1,3-quinone Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)CN2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CSC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)O)CN2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CSC=C5

InChI

InChI=1S/C25H25N3O4S/c1-32-19-5-6-22(29)18(13-19)15-26-8-10-27(11-9-26)21-4-2-3-20-23(21)25(31)28(24(20)30)14-17-7-12-33-16-17/h2-7,12-13,16,29H,8-11,14-15H2,1H3