tert-butyl 4-[2-[[5-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridin-2-yl]carbonylamino]ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[[5-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridin-2-yl]carbonylamino]ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carbonyl]amino]ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[[oxo-[5-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-2-pyridinyl]methyl]amino]ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carbonyl]amino]ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[5-[4-[2-(trifluoromethyl)benzoyl]piperazino]picolinoyl]amino]ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C29H37F3N6O4 MolecularWeight: 590.63709

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCNC(=O)C2=NC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCNC(=O)C2=NC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C29H37F3N6O4/c1-28(2,3)42-27(41)38-14-12-35(13-15-38)11-10-33-25(39)24-9-8-21(20-34-24)36-16-18-37(19-17-36)26(40)22-6-4-5-7-23(22)29(30,31)32/h4-9,20H,10-19H2,1-3H3,(H,33,39)