[(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [(1S)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(1S)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H16N4O3 MolecularWeight: 360.36604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)OC(=O)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C#N)OC(=O)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C20H16N4O3/c1-13(19(25)22-16-9-7-14(12-21)8-10-16)27-20(26)18-11-17(23-24-18)15-5-3-2-4-6-15/h2-11,13H,1H3,(H,22,25)(H,23,24)/t13-/m0/s1