[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[4-(2-fluorobenzyl)piperazino]-2-keto-ethyl] ester Formula: C21H20FN3O3 MolecularWeight: 381.400203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2F)C(=O)COC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2F)C(=O)COC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H20FN3O3/c22-19-4-2-1-3-18(19)14-24-9-11-25(12-10-24)20(26)15-28-21(27)17-7-5-16(13-23)6-8-17/h1-8H,9-12,14-15H2