methyl 2-cyano-2-[3-[3-[methyl(phenyl)amino]propylamino]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[3-[methyl(phenyl)amino]propylamino]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[3-(N-methylanilino)propylamino]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[3-(N-methylanilino)propylamino]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[3-(N-methylanilino)propylamino]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[3-(N-methylanilino)propylamino]quinoxalin-2-yl]acetic acid methyl ester Formula: C22H23N5O2 MolecularWeight: 389.45032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC1=NC2=CC=CC=C2N=C1C(C#N)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CN(CCCNC1=NC2=CC=CC=C2N=C1C(C#N)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H23N5O2/c1-27(16-9-4-3-5-10-16)14-8-13-24-21-20(17(15-23)22(28)29-2)25-18-11-6-7-12-19(18)26-21/h3-7,9-12,17H,8,13-14H2,1-2H3,(H,24,26)