ethyl 4-[(3-fluorophenyl)methyl]-1-(5-methylpyrazin-2-yl)carbonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(3-fluorophenyl)methyl]-1-(5-methylpyrazin-2-yl)carbonyl-piperidine-4-carboxylate Openeye Name: ethyl 4-[(3-fluorophenyl)methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-4-carboxylate CAS Name: 4-[(3-fluorophenyl)methyl]-1-[(5-methyl-2-pyrazinyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-fluorophenyl)methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-4-carboxylate Traditional Name: 4-(3-fluorobenzyl)-1-(5-methylpyrazinoyl)isonipecotic acid ethyl ester Formula: C21H24FN3O3 MolecularWeight: 385.431963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=CN=C(C=N2)C)CC3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=CN=C(C=N2)C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C21H24FN3O3/c1-3-28-20(27)21(12-16-5-4-6-17(22)11-16)7-9-25(10-8-21)19(26)18-14-23-15(2)13-24-18/h4-6,11,13-14H,3,7-10,12H2,1-2H3