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

Systemtic Name: 1-[2-(4-chloranyl-2-methanoyl-phenoxy)ethanoyl]-4-[(4-fluorophenyl)methyl]piperidine-4-carbonitrile Openeye Name: 1-[2-(4-chloro-2-formyl-phenoxy)acetyl]-4-[(4-fluorophenyl)methyl]piperidine-4-carbonitrile CAS Name: 1-[2-(4-chloro-2-formylphenoxy)-1-oxoethyl]-4-[(4-fluorophenyl)methyl]-4-piperidinecarbonitrile IUPAC Name: 1-[2-(4-chloro-2-formylphenoxy)acetyl]-4-[(4-fluorophenyl)methyl]piperidine-4-carbonitrile Traditional Name: 1-[2-(4-chloro-2-formyl-phenoxy)acetyl]-4-(4-fluorobenzyl)isonipecotonitrile Formula: C22H20ClFN2O3 MolecularWeight: 414.857203

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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)C=O

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClFN2O3/c23-18-3-6-20(17(11-18)13-27)29-14-21(28)26-9-7-22(15-25,8-10-26)12-16-1-4-19(24)5-2-16/h1-6,11,13H,7-10,12,14H2