ethyl (3S)-2-ethanoyl-4-phenyl-3-(phenylcarbonyl)-1,3-dihydropyrazole-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(N(N1)C(=O)C)C(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C([C@H](N(N1)C(=O)C)C(=O)C2=CC=CC=C2)C3=CC=CC=C3

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/h4-13,19,22H,3H2,1-2H3/t19-/m0/s1