methyl 2-[3-[4-[2-(butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]quinoxalin-2-yl]-2-cyano-ethanoate

Systemtic Name: methyl 2-[3-[4-[2-(butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]quinoxalin-2-yl]-2-cyano-ethanoate Openeye Name: methyl 2-[3-[4-[2-(butylamino)-2-oxo-ethyl]piperazin-1-yl]quinoxalin-2-yl]-2-cyano-acetate CAS Name: 2-[3-[4-[2-(butylamino)-2-oxoethyl]-1-piperazinyl]-2-quinoxalinyl]-2-cyanoacetic acid methyl ester IUPAC Name: methyl 2-[3-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetate Traditional Name: 2-[3-[4-[2-(butylamino)-2-keto-ethyl]piperazino]quinoxalin-2-yl]-2-cyano-acetic acid methyl ester Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC

Isomeric SMILES

CCCCNC(=O)CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC

InChI

InChI=1S/C22H28N6O3/c1-3-4-9-24-19(29)15-27-10-12-28(13-11-27)21-20(16(14-23)22(30)31-2)25-17-7-5-6-8-18(17)26-21/h5-8,16H,3-4,9-13,15H2,1-2H3,(H,24,29)