(5S)-5-ethynyl-1-(1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl)pyrrolidine-2-carbonitrile

Systemtic Name: (5S)-5-ethynyl-1-(1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl)pyrrolidine-2-carbonitrile Openeye Name: (5S)-5-ethynyl-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)pyrrolidine-2-carbonitrile CAS Name: (5S)-5-ethynyl-1-[oxo(1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]-2-pyrrolidinecarbonitrile IUPAC Name: (5S)-5-ethynyl-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)pyrrolidine-2-carbonitrile Traditional Name: (5S)-5-ethynyl-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)pyrrolidine-2-carbonitrile Formula: C17H17N3O MolecularWeight: 279.33638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1CCC(N1C(=O)C2CC3=CC=CC=C3CN2)C#N

Isomeric SMILES

C#C[C@@H]1CCC(N1C(=O)C2CC3=CC=CC=C3CN2)C#N

InChI

InChI=1S/C17H17N3O/c1-2-14-7-8-15(10-18)20(14)17(21)16-9-12-5-3-4-6-13(12)11-19-16/h1,3-6,14-16,19H,7-9,11H2/t14-,15?,16?/m1/s1