ethyl (5S)-1-[2-(3,5-dimethylpyrazol-1-yl)ethanoyl]-5-oxidanyl-5-phenyl-4H-pyrazole-3-carboxylate

Systemtic Name: ethyl (5S)-1-[2-(3,5-dimethylpyrazol-1-yl)ethanoyl]-5-oxidanyl-5-phenyl-4H-pyrazole-3-carboxylate Openeye Name: ethyl (5S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate CAS Name: (5S)-1-[2-(3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (5S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate Traditional Name: (5S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-hydroxy-5-phenyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)CN3C(=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)C1=NN([C@](C1)(C2=CC=CC=C2)O)C(=O)CN3C(=CC(=N3)C)C

InChI

InChI=1S/C19H22N4O4/c1-4-27-18(25)16-11-19(26,15-8-6-5-7-9-15)23(21-16)17(24)12-22-14(3)10-13(2)20-22/h5-10,26H,4,11-12H2,1-3H3/t19-/m0/s1