ethyl 1-[4-[(3-cyanophenyl)carbonylamino]phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[(3-cyanophenyl)carbonylamino]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[(3-cyanobenzoyl)amino]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[(3-cyanophenyl)-oxomethyl]amino]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(3-cyanobenzoyl)amino]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-[(3-cyanobenzoyl)amino]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)C3=CC=CC(=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)C3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C21H18N4O3/c1-3-28-21(27)19-13-23-25(14(19)2)18-9-7-17(8-10-18)24-20(26)16-6-4-5-15(11-16)12-22/h4-11,13H,3H2,1-2H3,(H,24,26)