methyl 2-cyano-2-[3-[[1-(dimethylamino)cyclohexyl]methylamino]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[[1-(dimethylamino)cyclohexyl]methylamino]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[[1-(dimethylamino)cyclohexyl]methylamino]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[[1-(dimethylamino)cyclohexyl]methylamino]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[[1-(dimethylamino)cyclohexyl]methylamino]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[[1-(dimethylamino)cyclohexyl]methylamino]quinoxalin-2-yl]acetic acid methyl ester Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCCCC1)CNC2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC

Isomeric SMILES

CN(C)C1(CCCCC1)CNC2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC

InChI

InChI=1S/C21H27N5O2/c1-26(2)21(11-7-4-8-12-21)14-23-19-18(15(13-22)20(27)28-3)24-16-9-5-6-10-17(16)25-19/h5-6,9-10,15H,4,7-8,11-12,14H2,1-3H3,(H,23,25)