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

Systemtic Name: heptyl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)ethanoate Openeye Name: heptyl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate CAS Name: 2-cyano-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetic acid heptyl ester IUPAC Name: heptyl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate Traditional Name: 2-cyano-2-(3-pyrrolidinoquinoxalin-2-yl)acetic acid heptyl ester Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2/c1-2-3-4-5-10-15-28-22(27)17(16-23)20-21(26-13-8-9-14-26)25-19-12-7-6-11-18(19)24-20/h6-7,11-12,17H,2-5,8-10,13-15H2,1H3