[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-quinoxalin-2-ylprop-2-enoate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-quinoxalin-2-ylprop-2-enoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 3-quinoxalin-2-ylprop-2-enoate CAS Name: 3-(2-quinoxalinyl)-2-propenoic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 3-quinoxalin-2-ylprop-2-enoate Traditional Name: 3-quinoxalin-2-ylacrylic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C=CC2=NC3=CC=CC=C3N=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C=CC2=NC3=CC=CC=C3N=C2)C

InChI

InChI=1S/C24H22N4O3/c1-17-12-18(2)14-20(13-17)28(11-5-10-25)23(29)16-31-24(30)9-8-19-15-26-21-6-3-4-7-22(21)27-19/h3-4,6-9,12-15H,5,11,16H2,1-2H3