ethyl (3R,4S)-2-ethanoyl-4-phenyl-3-(phenylcarbonyl)-3,4-dihydropyrazole-5-carboxylate

Systemtic Name: ethyl (3R,4S)-2-ethanoyl-4-phenyl-3-(phenylcarbonyl)-3,4-dihydropyrazole-5-carboxylate Openeye Name: ethyl (3R,4S)-2-acetyl-3-benzoyl-4-phenyl-3,4-dihydropyrazole-5-carboxylate CAS Name: (3R,4S)-2-acetyl-3-benzoyl-4-phenyl-3,4-dihydropyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S)-2-acetyl-3-benzoyl-4-phenyl-3,4-dihydropyrazole-5-carboxylate Traditional Name: (4S,5R)-1-acetyl-5-benzoyl-4-phenyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(C1C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=NN([C@H]([C@@H]1C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C21H20N2O4/c1-3-27-21(26)18-17(15-10-6-4-7-11-15)19(23(22-18)14(2)24)20(25)16-12-8-5-9-13-16/h4-13,17,19H,3H2,1-2H3/t17-,19-/m1/s1