[2,3-bis(fluoranyl)-4-(trifluoromethyl)phenyl]methyl 4-[(9-ethylcarbazol-3-yl)methyl]piperazine-1-carboxylate

Systemtic Name: [2,3-bis(fluoranyl)-4-(trifluoromethyl)phenyl]methyl 4-[(9-ethylcarbazol-3-yl)methyl]piperazine-1-carboxylate Openeye Name: [2,3-difluoro-4-(trifluoromethyl)phenyl]methyl 4-[(9-ethylcarbazol-3-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(9-ethyl-3-carbazolyl)methyl]-1-piperazinecarboxylic acid [2,3-difluoro-4-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [2,3-difluoro-4-(trifluoromethyl)phenyl]methyl 4-[(9-ethylcarbazol-3-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(9-ethylcarbazol-3-yl)methyl]piperazine-1-carboxylic acid [2,3-difluoro-4-(trifluoromethyl)benzyl] ester Formula: C28H26F5N3O2 MolecularWeight: 531.516956

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)C(=O)OCC4=C(C(=C(C=C4)C(F)(F)F)F)F)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)C(=O)OCC4=C(C(=C(C=C4)C(F)(F)F)F)F)C5=CC=CC=C51

InChI

InChI=1S/C28H26F5N3O2/c1-2-36-23-6-4-3-5-20(23)21-15-18(7-10-24(21)36)16-34-11-13-35(14-12-34)27(37)38-17-19-8-9-22(28(31,32)33)26(30)25(19)29/h3-10,15H,2,11-14,16-17H2,1H3