2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-thiomorpholin-4-ylcarbonylpiperidin-1-yl)isoindole-1,3-dione

Systemtic Name: 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-thiomorpholin-4-ylcarbonylpiperidin-1-yl)isoindole-1,3-dione Openeye Name: 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-[4-(thiomorpholine-4-carbonyl)-1-piperidyl]isoindoline-1,3-dione CAS Name: 2-[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-4-[4-[oxo(thiomorpholin-4-yl)methyl]-1-piperidinyl]isoindole-1,3-dione IUPAC Name: 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]isoindole-1,3-dione Traditional Name: 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-[4-(thiomorpholine-4-carbonyl)piperidino]isoindoline-1,3-quinone Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCC(CC4)C(=O)N5CCSCC5)C

Isomeric SMILES

CC1=CC(=NN1CCN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCC(CC4)C(=O)N5CCSCC5)C

InChI

InChI=1S/C25H31N5O3S/c1-17-16-18(2)30(26-17)11-10-29-24(32)20-4-3-5-21(22(20)25(29)33)27-8-6-19(7-9-27)23(31)28-12-14-34-15-13-28/h3-5,16,19H,6-15H2,1-2H3