tert-butyl (2R)-4-tert-butyl-2-[4-(phenylmethyl)piperazin-1-yl]carbonyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl (2R)-4-tert-butyl-2-[4-(phenylmethyl)piperazin-1-yl]carbonyl-piperazine-1-carboxylate Openeye Name: tert-butyl (2R)-2-(4-benzylpiperazine-1-carbonyl)-4-tert-butyl-piperazine-1-carboxylate CAS Name: (2R)-4-tert-butyl-2-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-(4-benzylpiperazine-1-carbonyl)-4-tert-butylpiperazine-1-carboxylate Traditional Name: (2R)-2-(4-benzylpiperazine-1-carbonyl)-4-tert-butyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C25H40N4O3 MolecularWeight: 444.6101

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CCN(C(C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)N1CCN([C@H](C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H40N4O3/c1-24(2,3)28-16-17-29(23(31)32-25(4,5)6)21(19-28)22(30)27-14-12-26(13-15-27)18-20-10-8-7-9-11-20/h7-11,21H,12-19H2,1-6H3/t21-/m1/s1