8-methyl-7-[4-(4-pyridin-2-ylpiperazin-1-yl)but-2-ynyl]-9-thia-7-azaspiro[4.4]nonan-6-one

Systemtic Name: 8-methyl-7-[4-(4-pyridin-2-ylpiperazin-1-yl)but-2-ynyl]-9-thia-7-azaspiro[4.4]nonan-6-one Openeye Name: 8-methyl-7-[4-[4-(2-pyridyl)piperazin-1-yl]but-2-ynyl]-9-thia-7-azaspiro[4.4]nonan-6-one CAS Name: 8-methyl-7-[4-[4-(2-pyridinyl)-1-piperazinyl]but-2-ynyl]-9-thia-7-azaspiro[4.4]nonan-6-one IUPAC Name: 8-methyl-7-[4-(4-pyridin-2-ylpiperazin-1-yl)but-2-ynyl]-9-thia-7-azaspiro[4.4]nonan-6-one Traditional Name: 8-methyl-7-[4-[4-(2-pyridyl)piperazino]but-2-ynyl]-9-thia-7-azaspiro[4.4]nonan-6-one Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C(=O)C2(S1)CCCC2)CC#CCN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1N(C(=O)C2(S1)CCCC2)CC#CCN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H28N4OS/c1-18-25(20(26)21(27-18)9-3-4-10-21)13-7-6-12-23-14-16-24(17-15-23)19-8-2-5-11-22-19/h2,5,8,11,18H,3-4,9-10,12-17H2,1H3