[5-[(2-fluoranylphenoxy)methyl]-1H-pyrazol-3-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone

Systemtic Name: [5-[(2-fluoranylphenoxy)methyl]-1H-pyrazol-3-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone Openeye Name: [5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(4-thiomorpholino-1-piperidyl)methanone CAS Name: [5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(4-thiomorpholin-4-yl-1-piperidinyl)methanone IUPAC Name: [5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone Traditional Name: [5-[(2-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=C4F

Isomeric SMILES

C1CN(CCC1N2CCSCC2)C(=O)C3=NNC(=C3)COC4=CC=CC=C4F

InChI

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