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

Systemtic Name: methyl 2-cyano-2-[3-[3-(phenylcarbamoyl)piperidin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[3-(phenylcarbamoyl)-1-piperidyl]quinoxalin-2-yl]acetate CAS Name: 2-[3-[3-[anilino(oxo)methyl]-1-piperidinyl]-2-quinoxalinyl]-2-cyanoacetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[3-(phenylcarbamoyl)piperidin-1-yl]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[3-(phenylcarbamoyl)piperidino]quinoxalin-2-yl]acetic acid methyl ester Formula: C24H23N5O3 MolecularWeight: 429.47112

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCC(C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCC(C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H23N5O3/c1-32-24(31)18(14-25)21-22(28-20-12-6-5-11-19(20)27-21)29-13-7-8-16(15-29)23(30)26-17-9-3-2-4-10-17/h2-6,9-12,16,18H,7-8,13,15H2,1H3,(H,26,30)