methyl 2-cyano-2-[3-[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[(1,3-diphenyl-4-pyrazolyl)methyl-methylamino]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]quinoxalin-2-yl]acetic acid methyl ester Formula: C29H24N6O2 MolecularWeight: 488.53986

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5N=C4C(C#N)C(=O)OC

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5N=C4C(C#N)C(=O)OC

InChI

InChI=1S/C29H24N6O2/c1-34(28-27(23(17-30)29(36)37-2)31-24-15-9-10-16-25(24)32-28)18-21-19-35(22-13-7-4-8-14-22)33-26(21)20-11-5-3-6-12-20/h3-16,19,23H,18H2,1-2H3