tert-butyl 4-[4-chloranyl-3-(2-cyanophenyl)-5-(1-fluoranylpropyl)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-chloranyl-3-(2-cyanophenyl)-5-(1-fluoranylpropyl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-chloro-3-(2-cyanophenyl)-5-(1-fluoropropyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-chloro-3-(2-cyanophenyl)-5-(1-fluoropropyl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-chloro-3-(2-cyanophenyl)-5-(1-fluoropropyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-chloro-3-(2-cyanophenyl)-5-(1-fluoropropyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H29ClFN3O2 MolecularWeight: 457.968063

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=CC(=C1)N2CCN(CC2)C(=O)OC(C)(C)C)C3=CC=CC=C3C#N)Cl)F

Isomeric SMILES

CCC(C1=C(C(=CC(=C1)N2CCN(CC2)C(=O)OC(C)(C)C)C3=CC=CC=C3C#N)Cl)F

InChI

InChI=1S/C25H29ClFN3O2/c1-5-22(27)21-15-18(14-20(23(21)26)19-9-7-6-8-17(19)16-28)29-10-12-30(13-11-29)24(31)32-25(2,3)4/h6-9,14-15,22H,5,10-13H2,1-4H3