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

Systemtic Name: ethyl (3R,4S)-2,4-diphenyl-3-(phenylcarbonyl)-3,4-dihydropyrazole-5-carboxylate Openeye Name: ethyl (3R,4S)-3-benzoyl-2,4-diphenyl-3,4-dihydropyrazole-5-carboxylate CAS Name: (3R,4S)-3-benzoyl-2,4-diphenyl-3,4-dihydropyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S)-3-benzoyl-2,4-diphenyl-3,4-dihydropyrazole-5-carboxylate Traditional Name: (4S,5R)-5-benzoyl-1,4-diphenyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C25H22N2O3 MolecularWeight: 398.45378

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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)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN([C@H]([C@@H]1C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3/c1-2-30-25(29)22-21(18-12-6-3-7-13-18)23(24(28)19-14-8-4-9-15-19)27(26-22)20-16-10-5-11-17-20/h3-17,21,23H,2H2,1H3/t21-,23-/m1/s1