N-[2,4-bis(bromanyl)phenyl]-4-(4-cyano-3-fluoranyl-phenyl)-2,5-dimethyl-piperazine-1-carboxamide

Systemtic Name: N-[2,4-bis(bromanyl)phenyl]-4-(4-cyano-3-fluoranyl-phenyl)-2,5-dimethyl-piperazine-1-carboxamide Openeye Name: 4-(4-cyano-3-fluoro-phenyl)-N-(2,4-dibromophenyl)-2,5-dimethyl-piperazine-1-carboxamide CAS Name: 4-(4-cyano-3-fluorophenyl)-N-(2,4-dibromophenyl)-2,5-dimethyl-1-piperazinecarboxamide IUPAC Name: 4-(4-cyano-3-fluorophenyl)-N-(2,4-dibromophenyl)-2,5-dimethylpiperazine-1-carboxamide Traditional Name: 4-(4-cyano-3-fluoro-phenyl)-N-(2,4-dibromophenyl)-2,5-dimethyl-piperazine-1-carboxamide Formula: C20H19Br2FN4O MolecularWeight: 510.197463

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)NC2=C(C=C(C=C2)Br)Br)C)C3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CC1CN(C(CN1C(=O)NC2=C(C=C(C=C2)Br)Br)C)C3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C20H19Br2FN4O/c1-12-11-27(20(28)25-19-6-4-15(21)7-17(19)22)13(2)10-26(12)16-5-3-14(9-24)18(23)8-16/h3-8,12-13H,10-11H2,1-2H3,(H,25,28)