ethyl 4-[[(4-cyano-1H-pyrazol-5-yl)amino]methyl]-5-methyl-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[[(4-cyano-1H-pyrazol-5-yl)amino]methyl]-5-methyl-1-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl 4-[[(4-cyano-1H-pyrazol-5-yl)amino]methyl]-5-methyl-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-[[(4-cyano-1H-pyrazol-5-yl)amino]methyl]-5-methyl-1-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(4-cyano-1H-pyrazol-5-yl)amino]methyl]-5-methyl-1-phenylpyrazole-3-carboxylate Traditional Name: 4-[[(4-cyano-1H-pyrazol-5-yl)amino]methyl]-5-methyl-1-phenyl-pyrazole-3-carboxylic acid ethyl ester Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1CNC2=C(C=NN2)C#N)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1CNC2=C(C=NN2)C#N)C)C3=CC=CC=C3

InChI

InChI=1S/C18H18N6O2/c1-3-26-18(25)16-15(11-20-17-13(9-19)10-21-22-17)12(2)24(23-16)14-7-5-4-6-8-14/h4-8,10H,3,11H2,1-2H3,(H2,20,21,22)