ethyl 5-methyl-1-(phenylcarbonyl)-5-(2-phenylethynyl)pyrazolidine-3-carboxylate

Systemtic Name: ethyl 5-methyl-1-(phenylcarbonyl)-5-(2-phenylethynyl)pyrazolidine-3-carboxylate Openeye Name: ethyl 1-benzoyl-5-methyl-5-(2-phenylethynyl)pyrazolidine-3-carboxylate CAS Name: 1-benzoyl-5-methyl-5-(2-phenylethynyl)-3-pyrazolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzoyl-5-methyl-5-(2-phenylethynyl)pyrazolidine-3-carboxylate Traditional Name: 1-benzoyl-5-methyl-5-(2-phenylethynyl)pyrazolidine-3-carboxylic acid ethyl ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N(N1)C(=O)C2=CC=CC=C2)(C)C#CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CC(N(N1)C(=O)C2=CC=CC=C2)(C)C#CC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3/c1-3-27-21(26)19-16-22(2,15-14-17-10-6-4-7-11-17)24(23-19)20(25)18-12-8-5-9-13-18/h4-13,19,23H,3,16H2,1-2H3