methyl 2-cyano-2-[3-[[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]amino]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]amino]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-[3-[[2-(benzylamino)-2-oxo-ethyl]amino]quinoxalin-2-yl]-2-cyano-acetate CAS Name: 2-cyano-2-[3-[[2-oxo-2-[(phenylmethyl)amino]ethyl]amino]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[2-(benzylamino)-2-oxoethyl]amino]quinoxalin-2-yl]-2-cyanoacetate Traditional Name: 2-[3-[[2-(benzylamino)-2-keto-ethyl]amino]quinoxalin-2-yl]-2-cyano-acetic acid methyl ester Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H19N5O3/c1-29-21(28)15(11-22)19-20(26-17-10-6-5-9-16(17)25-19)24-13-18(27)23-12-14-7-3-2-4-8-14/h2-10,15H,12-13H2,1H3,(H,23,27)(H,24,26)