tert-butyl 4-[3,5-bis(trifluoromethyl)phenyl]carbonyl-3-(1H-indol-3-ylmethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3,5-bis(trifluoromethyl)phenyl]carbonyl-3-(1H-indol-3-ylmethyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3,5-bis(trifluoromethyl)benzoyl]-3-(1H-indol-3-ylmethyl)piperazine-1-carboxylate CAS Name: 4-[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]-3-(1H-indol-3-ylmethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3,5-bis(trifluoromethyl)benzoyl]-3-(1H-indol-3-ylmethyl)piperazine-1-carboxylate Traditional Name: 4-[3,5-bis(trifluoromethyl)benzoyl]-3-(1H-indol-3-ylmethyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C27H27F6N3O3 MolecularWeight: 555.511999

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)CC2=CNC3=CC=CC=C32)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)CC2=CNC3=CC=CC=C32)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C27H27F6N3O3/c1-25(2,3)39-24(38)35-8-9-36(20(15-35)12-17-14-34-22-7-5-4-6-21(17)22)23(37)16-10-18(26(28,29)30)13-19(11-16)27(31,32)33/h4-7,10-11,13-14,20,34H,8-9,12,15H2,1-3H3