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

Systemtic Name: tert-butyl 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-[4-(4-cyanobenzyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H30N4O3/c1-22(2,3)29-21(28)26-10-4-5-19(26)20(27)25-13-11-24(12-14-25)16-18-8-6-17(15-23)7-9-18/h6-9,19H,4-5,10-14,16H2,1-3H3