ethyl 4-[4-(2-phenylethynyl)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(2-phenylethynyl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-(2-phenylethynyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[4-(2-phenylethynyl)phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-phenylethynyl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(2-phenylethynyl)benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3/c1-2-27-22(26)24-16-14-23(15-17-24)21(25)20-12-10-19(11-13-20)9-8-18-6-4-3-5-7-18/h3-7,10-13H,2,14-17H2,1H3