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

Systemtic Name: heptyl 2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)ethanoate Openeye Name: heptyl 2-cyano-2-[3-(1-piperidyl)quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-(1-piperidinyl)-2-quinoxalinyl]acetic acid heptyl ester IUPAC Name: heptyl 2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetate Traditional Name: 2-cyano-2-(3-piperidinoquinoxalin-2-yl)acetic acid heptyl ester Formula: C23H30N4O2 MolecularWeight: 394.5099

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O2/c1-2-3-4-5-11-16-29-23(28)18(17-24)21-22(27-14-9-6-10-15-27)26-20-13-8-7-12-19(20)25-21/h7-8,12-13,18H,2-6,9-11,14-16H2,1H3