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

Systemtic Name: (3S)-N-[2-oxidanylidene-2-(1-phenylethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: (3S)-N-[2-oxo-2-(1-phenylethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: (3S)-N-[2-oxo-2-(1-phenylethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: (3S)-N-[2-oxo-2-(1-phenylethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: (3S)-N-[2-keto-2-(1-phenylethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C20H23N3O2 MolecularWeight: 337.41552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CNC(=O)C2CC3=CC=CC=C3CN2

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CNC(=O)[C@@H]2CC3=CC=CC=C3CN2

InChI

InChI=1S/C20H23N3O2/c1-14(15-7-3-2-4-8-15)23-19(24)13-22-20(25)18-11-16-9-5-6-10-17(16)12-21-18/h2-10,14,18,21H,11-13H2,1H3,(H,22,25)(H,23,24)/t14?,18-/m0/s1