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

Systemtic Name: methyl 1-[3-[(1R)-1-cyano-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]quinoxalin-2-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[3-[(1R)-2-(benzylamino)-1-cyano-2-oxo-ethyl]quinoxalin-2-yl]piperidine-4-carboxylate CAS Name: 1-[3-[(1R)-1-cyano-2-oxo-2-[(phenylmethyl)amino]ethyl]-2-quinoxalinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[(1R)-2-(benzylamino)-1-cyano-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-[(1R)-2-(benzylamino)-1-cyano-2-keto-ethyl]quinoxalin-2-yl]isonipecotic acid methyl ester Formula: C25H25N5O3 MolecularWeight: 443.4977

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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=CC=C4

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2[C@H](C#N)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H25N5O3/c1-33-25(32)18-11-13-30(14-12-18)23-22(28-20-9-5-6-10-21(20)29-23)19(15-26)24(31)27-16-17-7-3-2-4-8-17/h2-10,18-19H,11-14,16H2,1H3,(H,27,31)/t19-/m0/s1