ethyl 6-[4-[3,4-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[3,4-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(3,4-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[(3,4-difluorophenyl)-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(3,4-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-(3,4-difluorobenzoyl)piperazino]nicotinic acid ethyl ester Formula: C19H19F2N3O3 MolecularWeight: 375.369266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19F2N3O3/c1-2-27-19(26)14-4-6-17(22-12-14)23-7-9-24(10-8-23)18(25)13-3-5-15(20)16(21)11-13/h3-6,11-12H,2,7-10H2,1H3