ethyl 2-[3-[bis(2-methylpropyl)amino]-1H-quinoxalin-2-ylidene]-2-cyano-ethanoate

Systemtic Name: ethyl 2-[3-[bis(2-methylpropyl)amino]-1H-quinoxalin-2-ylidene]-2-cyano-ethanoate Openeye Name: ethyl 2-cyano-2-[3-(diisobutylamino)-1H-quinoxalin-2-ylidene]acetate CAS Name: 2-[3-[bis(2-methylpropyl)amino]-1H-quinoxalin-2-ylidene]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-[3-[bis(2-methylpropyl)amino]-1H-quinoxalin-2-ylidene]-2-cyanoacetate Traditional Name: 2-cyano-2-[3-(diisobutylamino)-1H-quinoxalin-2-ylidene]acetic acid ethyl ester Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1C(=NC2=CC=CC=C2N1)N(CC(C)C)CC(C)C)C#N

Isomeric SMILES

CCOC(=O)C(=C1C(=NC2=CC=CC=C2N1)N(CC(C)C)CC(C)C)C#N

InChI

InChI=1S/C21H28N4O2/c1-6-27-21(26)16(11-22)19-20(25(12-14(2)3)13-15(4)5)24-18-10-8-7-9-17(18)23-19/h7-10,14-15,23H,6,12-13H2,1-5H3