2-[(2,3-dimethoxyphenyl)methyl]-4-[4-(5-methylthiophen-2-yl)carbonylpiperazin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-[(2,3-dimethoxyphenyl)methyl]-4-[4-(5-methylthiophen-2-yl)carbonylpiperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-[(2,3-dimethoxyphenyl)methyl]-4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-[(2,3-dimethoxyphenyl)methyl]-4-[4-[(5-methyl-2-thiophenyl)-oxomethyl]-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-[(2,3-dimethoxyphenyl)methyl]-4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 4-[4-(5-methylthiophene-2-carbonyl)piperazino]-2-o-veratryl-isoindoline-1,3-quinone Formula: C27H27N3O5S MolecularWeight: 505.58538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=C(C(=CC=C5)OC)OC

Isomeric SMILES

CC1=CC=C(S1)C(=O)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=C(C(=CC=C5)OC)OC

InChI

InChI=1S/C27H27N3O5S/c1-17-10-11-22(36-17)26(32)29-14-12-28(13-15-29)20-8-5-7-19-23(20)27(33)30(25(19)31)16-18-6-4-9-21(34-2)24(18)35-3/h4-11H,12-16H2,1-3H3