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

Systemtic Name: 2-[[4-methoxy-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-methoxy-3-[4-(2-thienylmethyl)piperazine-1-carbonyl]phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-methoxy-3-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-methoxy-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[4-methoxy-3-[4-(2-thenyl)piperazine-1-carbonyl]benzyl]isoindoline-1,3-quinone Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)CC5=CC=CS5

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)CC5=CC=CS5

InChI

InChI=1S/C26H25N3O4S/c1-33-23-9-8-18(16-29-25(31)20-6-2-3-7-21(20)26(29)32)15-22(23)24(30)28-12-10-27(11-13-28)17-19-5-4-14-34-19/h2-9,14-15H,10-13,16-17H2,1H3