propan-2-yl (2R)-2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)ethanoate

Systemtic Name: propan-2-yl (2R)-2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)ethanoate Openeye Name: isopropyl (2R)-2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate CAS Name: (2R)-2-cyano-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl (2R)-2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate Traditional Name: (2R)-2-cyano-2-(3-pyrrolidinoquinoxalin-2-yl)acetic acid isopropyl ester Formula: C18H20N4O2 MolecularWeight: 324.377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCC3

Isomeric SMILES

CC(C)OC(=O)[C@@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCCC3

InChI

InChI=1S/C18H20N4O2/c1-12(2)24-18(23)13(11-19)16-17(22-9-5-6-10-22)21-15-8-4-3-7-14(15)20-16/h3-4,7-8,12-13H,5-6,9-10H2,1-2H3/t13-/m0/s1