ethyl 4-[(3-fluorophenyl)methyl]-1-pyrazin-2-ylcarbonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(3-fluorophenyl)methyl]-1-pyrazin-2-ylcarbonyl-piperidine-4-carboxylate Openeye Name: ethyl 4-[(3-fluorophenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxylate CAS Name: 4-[(3-fluorophenyl)methyl]-1-[oxo(2-pyrazinyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-fluorophenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxylate Traditional Name: 4-(3-fluorobenzyl)-1-pyrazinoyl-isonipecotic acid ethyl ester Formula: C20H22FN3O3 MolecularWeight: 371.405383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=NC=CN=C2)CC3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=NC=CN=C2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H22FN3O3/c1-2-27-19(26)20(13-15-4-3-5-16(21)12-15)6-10-24(11-7-20)18(25)17-14-22-8-9-23-17/h3-5,8-9,12,14H,2,6-7,10-11,13H2,1H3