methyl 2-cyano-2-[3-[(4-dimethylaminophenyl)methylamino]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[(4-dimethylaminophenyl)methylamino]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[(4-dimethylaminophenyl)methylamino]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[(4-dimethylaminophenyl)methylamino]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[(4-dimethylaminophenyl)methylamino]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[[4-(dimethylamino)benzyl]amino]quinoxalin-2-yl]acetic acid methyl ester Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2/c1-26(2)15-10-8-14(9-11-15)13-23-20-19(16(12-22)21(27)28-3)24-17-6-4-5-7-18(17)25-20/h4-11,16H,13H2,1-3H3,(H,23,25)