2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(5-piperidin-1-ylisoquinolin-8-yl)ethanamide

Systemtic Name: 2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(5-piperidin-1-ylisoquinolin-8-yl)ethanamide Openeye Name: 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[5-(1-piperidyl)-8-isoquinolyl]acetamide CAS Name: 2-[(1-cyclopentyl-5-tetrazolyl)thio]-N-[5-(1-piperidinyl)-8-isoquinolinyl]acetamide IUPAC Name: 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide Traditional Name: 2-[(1-cyclopentyltetrazol-5-yl)thio]-N-(5-piperidino-8-isoquinolyl)acetamide Formula: C22H27N7OS MolecularWeight: 437.56108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)CSC4=NN=NN4C5CCCC5

Isomeric SMILES

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)CSC4=NN=NN4C5CCCC5

InChI

InChI=1S/C22H27N7OS/c30-21(15-31-22-25-26-27-29(22)16-6-2-3-7-16)24-19-8-9-20(28-12-4-1-5-13-28)17-10-11-23-14-18(17)19/h8-11,14,16H,1-7,12-13,15H2,(H,24,30)