tert-butyl 4-(4-phenylpiperazin-1-yl)-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-phenylpiperazin-1-yl)-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(4-phenylpiperazin-1-yl)-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate CAS Name: 2-[oxo(2-pyrrolidinyl)methyl]-4-(4-phenyl-1-piperazinyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-phenylpiperazin-1-yl)-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(4-phenylpiperazino)-2-prolyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C24H36N4O3 MolecularWeight: 428.56764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)C2CCCN2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)C2CCCN2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H36N4O3/c1-24(2,3)31-23(30)28-17-19(16-21(28)22(29)20-10-7-11-25-20)27-14-12-26(13-15-27)18-8-5-4-6-9-18/h4-6,8-9,19-21,25H,7,10-17H2,1-3H3