[5-[(3-fluoranylphenoxy)methyl]-1H-pyrazol-3-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone

Systemtic Name: [5-[(3-fluoranylphenoxy)methyl]-1H-pyrazol-3-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone Openeye Name: [5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(4-thiomorpholino-1-piperidyl)methanone CAS Name: [5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(4-thiomorpholin-4-yl-1-piperidinyl)methanone IUPAC Name: [5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone Traditional Name: [5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(4-thiomorpholinopiperidino)methanone Formula: C20H25FN4O2S MolecularWeight: 404.501503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCSCC2)C(=O)C3=NNC(=C3)COC4=CC(=CC=C4)F

Isomeric SMILES

C1CN(CCC1N2CCSCC2)C(=O)C3=NNC(=C3)COC4=CC(=CC=C4)F

InChI

InChI=1S/C20H25FN4O2S/c21-15-2-1-3-18(12-15)27-14-16-13-19(23-22-16)20(26)25-6-4-17(5-7-25)24-8-10-28-11-9-24/h1-3,12-13,17H,4-11,14H2,(H,22,23)