[4-(2,4,4-trimethylpentan-2-ylcarbamoyl)phenyl] 4-pyridin-2-ylpiperazine-1-carboxylate

Systemtic Name: [4-(2,4,4-trimethylpentan-2-ylcarbamoyl)phenyl] 4-pyridin-2-ylpiperazine-1-carboxylate Openeye Name: [4-(1,1,3,3-tetramethylbutylcarbamoyl)phenyl] 4-(2-pyridyl)piperazine-1-carboxylate CAS Name: 4-(2-pyridinyl)-1-piperazinecarboxylic acid [4-[oxo-(2,4,4-trimethylpentan-2-ylamino)methyl]phenyl] ester IUPAC Name: [4-(2,4,4-trimethylpentan-2-ylcarbamoyl)phenyl] 4-pyridin-2-ylpiperazine-1-carboxylate Traditional Name: 4-(2-pyridyl)piperazine-1-carboxylic acid [4-(1,1,3,3-tetramethylbutylcarbamoyl)phenyl] ester Formula: C25H34N4O3 MolecularWeight: 438.56246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=O)C1=CC=C(C=C1)OC(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=O)C1=CC=C(C=C1)OC(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C25H34N4O3/c1-24(2,3)18-25(4,5)27-22(30)19-9-11-20(12-10-19)32-23(31)29-16-14-28(15-17-29)21-8-6-7-13-26-21/h6-13H,14-18H2,1-5H3,(H,27,30)