methyl 2-(4-cyanophenyl)-1-(phenylcarbonyl)-5-piperazin-1-ylcarbonyl-pyrrolidine-3-carboxylate

Systemtic Name: methyl 2-(4-cyanophenyl)-1-(phenylcarbonyl)-5-piperazin-1-ylcarbonyl-pyrrolidine-3-carboxylate Openeye Name: methyl 1-benzoyl-2-(4-cyanophenyl)-5-(piperazine-1-carbonyl)pyrrolidine-3-carboxylate CAS Name: 1-benzoyl-2-(4-cyanophenyl)-5-[oxo(1-piperazinyl)methyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-benzoyl-2-(4-cyanophenyl)-5-(piperazine-1-carbonyl)pyrrolidine-3-carboxylate Traditional Name: 1-benzoyl-2-(4-cyanophenyl)-5-(piperazine-1-carbonyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(N(C1C2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3)C(=O)N4CCNCC4

Isomeric SMILES

COC(=O)C1CC(N(C1C2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3)C(=O)N4CCNCC4

InChI

InChI=1S/C25H26N4O4/c1-33-25(32)20-15-21(24(31)28-13-11-27-12-14-28)29(23(30)19-5-3-2-4-6-19)22(20)18-9-7-17(16-26)8-10-18/h2-10,20-22,27H,11-15H2,1H3