[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H18N4O3/c1-15(20(26)24-19-9-5-8-17(10-19)11-22)28-21(27)18-12-23-25(14-18)13-16-6-3-2-4-7-16/h2-10,12,14-15H,13H2,1H3,(H,24,26)