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

Systemtic Name: [4-fluoranyl-3-(trifluoromethyl)phenyl]methyl 4-[(9-ethylcarbazol-3-yl)methyl]piperazine-1-carboxylate Openeye Name: [4-fluoro-3-(trifluoromethyl)phenyl]methyl 4-[(9-ethylcarbazol-3-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(9-ethyl-3-carbazolyl)methyl]-1-piperazinecarboxylic acid [4-fluoro-3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [4-fluoro-3-(trifluoromethyl)phenyl]methyl 4-[(9-ethylcarbazol-3-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(9-ethylcarbazol-3-yl)methyl]piperazine-1-carboxylic acid [4-fluoro-3-(trifluoromethyl)benzyl] ester Formula: C28H27F4N3O2 MolecularWeight: 513.526493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27F4N3O2/c1-2-35-25-6-4-3-5-21(25)22-15-19(8-10-26(22)35)17-33-11-13-34(14-12-33)27(36)37-18-20-7-9-24(29)23(16-20)28(30,31)32/h3-10,15-16H,2,11-14,17-18H2,1H3