4-(3-bromanyl-4-cyano-phenyl)-2,5-dimethyl-piperazine-1-carboxylate

Systemtic Name: 4-(3-bromanyl-4-cyano-phenyl)-2,5-dimethyl-piperazine-1-carboxylate Openeye Name: 4-(3-bromo-4-cyano-phenyl)-2,5-dimethyl-piperazine-1-carboxylate CAS Name: 4-(3-bromo-4-cyanophenyl)-2,5-dimethyl-1-piperazinecarboxylate IUPAC Name: 4-(3-bromo-4-cyanophenyl)-2,5-dimethylpiperazine-1-carboxylate Traditional Name: 4-(3-bromo-4-cyano-phenyl)-2,5-dimethyl-piperazine-1-carboxylate Formula: C14H15BrN3O2- MolecularWeight: 337.1918

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)[O-])C)C2=CC(=C(C=C2)C#N)Br

Isomeric SMILES

CC1CN(C(CN1C(=O)[O-])C)C2=CC(=C(C=C2)C#N)Br

InChI

InChI=1S/C14H16BrN3O2/c1-9-8-18(14(19)20)10(2)7-17(9)12-4-3-11(6-16)13(15)5-12/h3-5,9-10H,7-8H2,1-2H3,(H,19,20)/p-1