N-[[(2R,5R)-5-[(4-chloranylphenoxy)methyl]oxan-2-yl]methyl]-1H-pyrazole-4-carboxamide

Systemtic Name: N-[[(2R,5R)-5-[(4-chloranylphenoxy)methyl]oxan-2-yl]methyl]-1H-pyrazole-4-carboxamide Openeye Name: N-[[(2R,5R)-5-[(4-chlorophenoxy)methyl]tetrahydropyran-2-yl]methyl]-1H-pyrazole-4-carboxamide CAS Name: N-[[(2R,5R)-5-[(4-chlorophenoxy)methyl]-2-oxanyl]methyl]-1H-pyrazole-4-carboxamide IUPAC Name: N-[[(2R,5R)-5-[(4-chlorophenoxy)methyl]oxan-2-yl]methyl]-1H-pyrazole-4-carboxamide Traditional Name: N-[[(2R,5R)-5-[(4-chlorophenoxy)methyl]tetrahydropyran-2-yl]methyl]-1H-pyrazole-4-carboxamide Formula: C17H20ClN3O3 MolecularWeight: 349.812

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OCC1COC2=CC=C(C=C2)Cl)CNC(=O)C3=CNN=C3

Isomeric SMILES

C1C[C@@H](OC[C@@H]1COC2=CC=C(C=C2)Cl)CNC(=O)C3=CNN=C3

InChI

InChI=1S/C17H20ClN3O3/c18-14-2-5-15(6-3-14)23-10-12-1-4-16(24-11-12)9-19-17(22)13-7-20-21-8-13/h2-3,5-8,12,16H,1,4,9-11H2,(H,19,22)(H,20,21)/t12-,16+/m0/s1