ethyl 2-(4-chlorophenyl)-2-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-(4-chlorophenyl)-2-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]ethanoate Openeye Name: ethyl 2-(4-chlorophenyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetate CAS Name: 2-(4-chlorophenyl)-2-[4-[(3-fluorophenyl)-oxomethyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-chlorophenyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetate Traditional Name: 2-(4-chlorophenyl)-2-[4-(3-fluorobenzoyl)piperazino]acetic acid ethyl ester Formula: C21H22ClFN2O3 MolecularWeight: 404.862383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H22ClFN2O3/c1-2-28-21(27)19(15-6-8-17(22)9-7-15)24-10-12-25(13-11-24)20(26)16-4-3-5-18(23)14-16/h3-9,14,19H,2,10-13H2,1H3