ethyl 4-[[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-[[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]-1H-pyrazole-5-carboxylate CAS Name: 4-[[2-[(4-fluorophenyl)methyl]-4-morpholinyl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]-1H-pyrazole-5-carboxylate Traditional Name: 4-[[2-(4-fluorobenzyl)morpholino]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C18H22FN3O3 MolecularWeight: 347.383983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)CN2CCOC(C2)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)CN2CCOC(C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H22FN3O3/c1-2-24-18(23)17-14(10-20-21-17)11-22-7-8-25-16(12-22)9-13-3-5-15(19)6-4-13/h3-6,10,16H,2,7-9,11-12H2,1H3,(H,20,21)