2-(4-cyanophenyl)ethyl 4-[4,4-bis(4-fluorophenyl)butyl]piperazine-1-carboxylate

Systemtic Name: 2-(4-cyanophenyl)ethyl 4-[4,4-bis(4-fluorophenyl)butyl]piperazine-1-carboxylate Openeye Name: 2-(4-cyanophenyl)ethyl 4-[4,4-bis(4-fluorophenyl)butyl]piperazine-1-carboxylate CAS Name: 4-[4,4-bis(4-fluorophenyl)butyl]-1-piperazinecarboxylic acid 2-(4-cyanophenyl)ethyl ester IUPAC Name: 2-(4-cyanophenyl)ethyl 4-[4,4-bis(4-fluorophenyl)butyl]piperazine-1-carboxylate Traditional Name: 4-[4,4-bis(4-fluorophenyl)butyl]piperazine-1-carboxylic acid 2-(4-cyanophenyl)ethyl ester Formula: C30H31F2N3O2 MolecularWeight: 503.582846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)OCCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)OCCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C30H31F2N3O2/c31-27-11-7-25(8-12-27)29(26-9-13-28(32)14-10-26)2-1-16-34-17-19-35(20-18-34)30(36)37-21-15-23-3-5-24(22-33)6-4-23/h3-14,29H,1-2,15-21H2