tert-butyl 2-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[4-(4-cyanobenzoyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(4-cyanobenzoyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-[4-(4-cyanobenzoyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H28N4O4/c1-22(2,3)30-21(29)26-10-4-5-18(26)20(28)25-13-11-24(12-14-25)19(27)17-8-6-16(15-23)7-9-17/h6-9,18H,4-5,10-14H2,1-3H3