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

Systemtic Name: 4-[4-(5-methylthiophen-2-yl)carbonylpiperazin-1-yl]-2-(pyridin-2-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-(2-pyridylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[(5-methyl-2-thiophenyl)-oxomethyl]-1-piperazinyl]-2-(2-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-(pyridin-2-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-(5-methylthiophene-2-carbonyl)piperazino]-2-(2-pyridylmethyl)isoindoline-1,3-quinone Formula: C24H22N4O3S MolecularWeight: 446.52148

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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=CC=CC=N5

Isomeric SMILES

CC1=CC=C(S1)C(=O)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=CC=N5

InChI

InChI=1S/C24H22N4O3S/c1-16-8-9-20(32-16)23(30)27-13-11-26(12-14-27)19-7-4-6-18-21(19)24(31)28(22(18)29)15-17-5-2-3-10-25-17/h2-10H,11-15H2,1H3