4-(4-isoquinolin-3-ylpiperazin-1-yl)-1-thiophen-2-yl-butan-1-one

Systemtic Name: 4-(4-isoquinolin-3-ylpiperazin-1-yl)-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[4-(3-isoquinolyl)piperazin-1-yl]-1-(2-thienyl)butan-1-one CAS Name: 4-[4-(3-isoquinolinyl)-1-piperazinyl]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-(4-isoquinolin-3-ylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[4-(3-isoquinolyl)piperazino]-1-(2-thienyl)butan-1-one Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(=O)C2=CC=CS2)C3=CC4=CC=CC=C4C=N3

Isomeric SMILES

C1CN(CCN1CCCC(=O)C2=CC=CS2)C3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C21H23N3OS/c25-19(20-8-4-14-26-20)7-3-9-23-10-12-24(13-11-23)21-15-17-5-1-2-6-18(17)16-22-21/h1-2,4-6,8,14-16H,3,7,9-13H2