(3S)-N-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: (3S)-N-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: (3S)-N-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: (3S)-N-[2-oxo-2-(2-oxolanylmethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: (3S)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: (3S)-N-[2-keto-2-(tetrahydrofurfurylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C17H23N3O3 MolecularWeight: 317.38282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CNC(=O)C2CC3=CC=CC=C3CN2

Isomeric SMILES

C1CC(OC1)CNC(=O)CNC(=O)[C@@H]2CC3=CC=CC=C3CN2

InChI

InChI=1S/C17H23N3O3/c21-16(19-10-14-6-3-7-23-14)11-20-17(22)15-8-12-4-1-2-5-13(12)9-18-15/h1-2,4-5,14-15,18H,3,6-11H2,(H,19,21)(H,20,22)/t14?,15-/m0/s1