2-ethylbutyl 2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)ethanoate

Systemtic Name: 2-ethylbutyl 2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)ethanoate Openeye Name: 2-ethylbutyl 2-cyano-2-[3-(1-piperidyl)quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-(1-piperidinyl)-2-quinoxalinyl]acetic acid 2-ethylbutyl ester IUPAC Name: 2-ethylbutyl 2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetate Traditional Name: 2-cyano-2-(3-piperidinoquinoxalin-2-yl)acetic acid 2-ethylbutyl ester Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCCC3

Isomeric SMILES

CCC(CC)COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCCC3

InChI

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