methyl 2-[3-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]quinoxalin-2-yl]-2-cyano-ethanoate

Systemtic Name: methyl 2-[3-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]quinoxalin-2-yl]-2-cyano-ethanoate Openeye Name: methyl 2-[3-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]quinoxalin-2-yl]-2-cyano-acetate CAS Name: 2-[3-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propylamino]-2-quinoxalinyl]-2-cyanoacetic acid methyl ester IUPAC Name: methyl 2-[3-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propylamino]quinoxalin-2-yl]-2-cyanoacetate Traditional Name: 2-[3-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]quinoxalin-2-yl]-2-cyano-acetic acid methyl ester Formula: C25H22N8O2 MolecularWeight: 466.49458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NCCCC3=NN(C(=C3C#N)N)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NCCCC3=NN(C(=C3C#N)N)C4=CC=CC=C4

InChI

InChI=1S/C25H22N8O2/c1-35-25(34)18(15-27)22-24(31-21-11-6-5-10-20(21)30-22)29-13-7-12-19-17(14-26)23(28)33(32-19)16-8-3-2-4-9-16/h2-6,8-11,18H,7,12-13,28H2,1H3,(H,29,31)