heptyl 2-cyano-2-[3-(3,5-dimethylpiperidin-1-yl)quinoxalin-2-yl]ethanoate

Systemtic Name: heptyl 2-cyano-2-[3-(3,5-dimethylpiperidin-1-yl)quinoxalin-2-yl]ethanoate Openeye Name: heptyl 2-cyano-2-[3-(3,5-dimethyl-1-piperidyl)quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-(3,5-dimethyl-1-piperidinyl)-2-quinoxalinyl]acetic acid heptyl ester IUPAC Name: heptyl 2-cyano-2-[3-(3,5-dimethylpiperidin-1-yl)quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-(3,5-dimethylpiperidino)quinoxalin-2-yl]acetic acid heptyl ester Formula: C25H34N4O2 MolecularWeight: 422.56306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CC(CC(C3)C)C

Isomeric SMILES

CCCCCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CC(CC(C3)C)C

InChI

InChI=1S/C25H34N4O2/c1-4-5-6-7-10-13-31-25(30)20(15-26)23-24(29-16-18(2)14-19(3)17-29)28-22-12-9-8-11-21(22)27-23/h8-9,11-12,18-20H,4-7,10,13-14,16-17H2,1-3H3