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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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