methyl 2-cyano-2-[3-(4-piperidin-1-ylcarbonylpiperidin-1-yl)quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-(4-piperidin-1-ylcarbonylpiperidin-1-yl)quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[4-(piperidine-1-carbonyl)-1-piperidyl]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[4-[oxo(1-piperidinyl)methyl]-1-piperidinyl]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[4-(piperidine-1-carbonyl)piperidino]quinoxalin-2-yl]acetic acid methyl ester Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)C(=O)N4CCCCC4

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)C(=O)N4CCCCC4

InChI

InChI=1S/C23H27N5O3/c1-31-23(30)17(15-24)20-21(26-19-8-4-3-7-18(19)25-20)27-13-9-16(10-14-27)22(29)28-11-5-2-6-12-28/h3-4,7-8,16-17H,2,5-6,9-14H2,1H3