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

Systemtic Name: methyl 2-[3-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]quinoxalin-2-yl]-2-cyano-ethanoate Openeye Name: methyl 2-[3-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]quinoxalin-2-yl]-2-cyano-acetate CAS Name: 2-[3-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-2-quinoxalinyl]-2-cyanoacetic acid methyl ester IUPAC Name: methyl 2-[3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetate Traditional Name: 2-[3-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]quinoxalin-2-yl]-2-cyano-acetic acid methyl ester Formula: C24H30N6O3 MolecularWeight: 450.5334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C24H30N6O3/c1-33-24(32)18(16-25)22-23(27-20-9-5-4-8-19(20)26-22)30-14-12-28(13-15-30)17-21(31)29-10-6-2-3-7-11-29/h4-5,8-9,18H,2-3,6-7,10-15,17H2,1H3