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

Systemtic Name: methyl 2-cyano-2-[3-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[4-[2-(dimethylamino)-2-oxo-ethyl]piperazin-1-yl]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[4-[2-(dimethylamino)-2-oxoethyl]-1-piperazinyl]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[4-[2-(dimethylamino)-2-keto-ethyl]piperazino]quinoxalin-2-yl]acetic acid methyl ester Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6O3/c1-24(2)17(27)13-25-8-10-26(11-9-25)19-18(14(12-21)20(28)29-3)22-15-6-4-5-7-16(15)23-19/h4-7,14H,8-11,13H2,1-3H3