methyl 1-[3-[(1R)-1-cyano-2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]quinoxalin-2-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-[(1R)-1-cyano-2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]quinoxalin-2-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[3-[(1R)-1-cyano-2-(2-furylmethylamino)-2-oxo-ethyl]quinoxalin-2-yl]piperidine-4-carboxylate CAS Name: 1-[3-[(1R)-1-cyano-2-(2-furanylmethylamino)-2-oxoethyl]-2-quinoxalinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[(1R)-1-cyano-2-(furan-2-ylmethylamino)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-[(1R)-1-cyano-2-(2-furfurylamino)-2-keto-ethyl]quinoxalin-2-yl]isonipecotic acid methyl ester Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NCC4=CC=CO4

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2[C@H](C#N)C(=O)NCC4=CC=CO4

InChI

InChI=1S/C23H23N5O4/c1-31-23(30)15-8-10-28(11-9-15)21-20(26-18-6-2-3-7-19(18)27-21)17(13-24)22(29)25-14-16-5-4-12-32-16/h2-7,12,15,17H,8-11,14H2,1H3,(H,25,29)/t17-/m0/s1