N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-[(2-fluoranylphenoxy)methyl]-1H-pyrazole-3-carboxamide

Systemtic Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-[(2-fluoranylphenoxy)methyl]-1H-pyrazole-3-carboxamide Openeye Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide CAS Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide IUPAC Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide Traditional Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide Formula: C16H18FN3O4 MolecularWeight: 335.330223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(CO1)CNC(=O)C2=NNC(=C2)COC3=CC=CC=C3F

Isomeric SMILES

C1CO[C@H](CO1)CNC(=O)C2=NNC(=C2)COC3=CC=CC=C3F

InChI

InChI=1S/C16H18FN3O4/c17-13-3-1-2-4-15(13)24-9-11-7-14(20-19-11)16(21)18-8-12-10-22-5-6-23-12/h1-4,7,12H,5-6,8-10H2,(H,18,21)(H,19,20)/t12-/m0/s1