1-[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoyl]-4-[(4-fluorophenyl)methyl]piperidine-4-carbonitrile

Systemtic Name: 1-[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoyl]-4-[(4-fluorophenyl)methyl]piperidine-4-carbonitrile Openeye Name: 1-[2-(2-bromo-4-chloro-phenoxy)acetyl]-4-[(4-fluorophenyl)methyl]piperidine-4-carbonitrile CAS Name: 1-[2-(2-bromo-4-chlorophenoxy)-1-oxoethyl]-4-[(4-fluorophenyl)methyl]-4-piperidinecarbonitrile IUPAC Name: 1-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-[(4-fluorophenyl)methyl]piperidine-4-carbonitrile Traditional Name: 1-[2-(2-bromo-4-chloro-phenoxy)acetyl]-4-(4-fluorobenzyl)isonipecotonitrile Formula: C21H19BrClFN2O2 MolecularWeight: 465.743163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=C(C=C2)F)C#N)C(=O)COC3=C(C=C(C=C3)Cl)Br

Isomeric SMILES

C1CN(CCC1(CC2=CC=C(C=C2)F)C#N)C(=O)COC3=C(C=C(C=C3)Cl)Br

InChI

InChI=1S/C21H19BrClFN2O2/c22-18-11-16(23)3-6-19(18)28-13-20(27)26-9-7-21(14-25,8-10-26)12-15-1-4-17(24)5-2-15/h1-6,11H,7-10,12-13H2