7-[4-(phenylmethyl)piperazin-1-yl]carbonyl-2-(thiophen-2-ylmethyl)-3H-isoindol-1-one

Systemtic Name: 7-[4-(phenylmethyl)piperazin-1-yl]carbonyl-2-(thiophen-2-ylmethyl)-3H-isoindol-1-one Openeye Name: 7-(4-benzylpiperazine-1-carbonyl)-2-(2-thienylmethyl)isoindolin-1-one CAS Name: 7-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-(thiophen-2-ylmethyl)-3H-isoindol-1-one IUPAC Name: 7-(4-benzylpiperazine-1-carbonyl)-2-(thiophen-2-ylmethyl)-3H-isoindol-1-one Traditional Name: 7-(4-benzylpiperazine-1-carbonyl)-2-(2-thenyl)isoindolin-1-one Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C4C(=CC=C3)CN(C4=O)CC5=CC=CS5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C4C(=CC=C3)CN(C4=O)CC5=CC=CS5

InChI

InChI=1S/C25H25N3O2S/c29-24(27-13-11-26(12-14-27)16-19-6-2-1-3-7-19)22-10-4-8-20-17-28(25(30)23(20)22)18-21-9-5-15-31-21/h1-10,15H,11-14,16-18H2