hexyl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)ethanoate

Systemtic Name: hexyl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)ethanoate Openeye Name: hexyl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate CAS Name: 2-cyano-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetic acid hexyl ester IUPAC Name: hexyl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate Traditional Name: 2-cyano-2-(3-pyrrolidinoquinoxalin-2-yl)acetic acid hexyl ester Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2/c1-2-3-4-9-14-27-21(26)16(15-22)19-20(25-12-7-8-13-25)24-18-11-6-5-10-17(18)23-19/h5-6,10-11,16H,2-4,7-9,12-14H2,1H3