tert-butyl 4-(2-ethanoyl-3-phenyl-3,4-dihydropyrazol-5-yl)benzoate

Systemtic Name: tert-butyl 4-(2-ethanoyl-3-phenyl-3,4-dihydropyrazol-5-yl)benzoate Openeye Name: tert-butyl 4-(2-acetyl-3-phenyl-3,4-dihydropyrazol-5-yl)benzoate CAS Name: 4-(2-acetyl-3-phenyl-3,4-dihydropyrazol-5-yl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-acetyl-3-phenyl-3,4-dihydropyrazol-5-yl)benzoate Traditional Name: 4-(1-acetyl-5-phenyl-2-pyrazolin-3-yl)benzoic acid tert-butyl ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)C(=O)OC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)C(=O)OC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O3/c1-15(25)24-20(17-8-6-5-7-9-17)14-19(23-24)16-10-12-18(13-11-16)21(26)27-22(2,3)4/h5-13,20H,14H2,1-4H3