7-[4-(4-isoquinolin-3-ylpiperazin-1-yl)butyl]-9-thia-7-azaspiro[4.4]nonan-6-one

Systemtic Name: 7-[4-(4-isoquinolin-3-ylpiperazin-1-yl)butyl]-9-thia-7-azaspiro[4.4]nonan-6-one Openeye Name: 7-[4-[4-(3-isoquinolyl)piperazin-1-yl]butyl]-9-thia-7-azaspiro[4.4]nonan-6-one CAS Name: 7-[4-[4-(3-isoquinolinyl)-1-piperazinyl]butyl]-9-thia-7-azaspiro[4.4]nonan-6-one IUPAC Name: 7-[4-(4-isoquinolin-3-ylpiperazin-1-yl)butyl]-9-thia-7-azaspiro[4.4]nonan-6-one Traditional Name: 7-[4-[4-(3-isoquinolyl)piperazino]butyl]-9-thia-7-azaspiro[4.4]nonan-6-one Formula: C24H32N4OS MolecularWeight: 424.60208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)C(=O)N(CS2)CCCCN3CCN(CC3)C4=CC5=CC=CC=C5C=N4

Isomeric SMILES

C1CCC2(C1)C(=O)N(CS2)CCCCN3CCN(CC3)C4=CC5=CC=CC=C5C=N4

InChI

InChI=1S/C24H32N4OS/c29-23-24(9-3-4-10-24)30-19-28(23)12-6-5-11-26-13-15-27(16-14-26)22-17-20-7-1-2-8-21(20)18-25-22/h1-2,7-8,17-18H,3-6,9-16,19H2