2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(oxolan-2-ylmethyl)ethanamide

Systemtic Name: 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(oxolan-2-ylmethyl)ethanamide Openeye Name: 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(tetrahydrofuran-2-ylmethyl)acetamide CAS Name: 2-[[4-cyano-1-(1-pyrrolidinyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]thio]-N-(2-oxolanylmethyl)acetamide IUPAC Name: 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide Traditional Name: 2-[(4-cyano-1-pyrrolidino-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(tetrahydrofurfuryl)acetamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)NCC3CCCO3)N4CCCC4

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)NCC3CCCO3)N4CCCC4

InChI

InChI=1S/C21H28N4O2S/c22-12-18-16-7-1-2-8-17(16)20(25-9-3-4-10-25)24-21(18)28-14-19(26)23-13-15-6-5-11-27-15/h15H,1-11,13-14H2,(H,23,26)