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

Systemtic Name: 5-[(2-chloranyl-4-methoxy-phenoxy)methyl]-N-[[(2S)-1,4-dioxan-2-yl]methyl]-1H-pyrazole-3-carboxamide Openeye Name: 5-[(2-chloro-4-methoxy-phenoxy)methyl]-N-[[(2S)-1,4-dioxan-2-yl]methyl]-1H-pyrazole-3-carboxamide CAS Name: 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[[(2S)-1,4-dioxan-2-yl]methyl]-1H-pyrazole-3-carboxamide IUPAC Name: 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[[(2S)-1,4-dioxan-2-yl]methyl]-1H-pyrazole-3-carboxamide Traditional Name: 5-[(2-chloro-4-methoxy-phenoxy)methyl]-N-[[(2S)-1,4-dioxan-2-yl]methyl]-1H-pyrazole-3-carboxamide Formula: C17H20ClN3O5 MolecularWeight: 381.8108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC2=CC(=NN2)C(=O)NCC3COCCO3)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OCC2=CC(=NN2)C(=O)NC[C@H]3COCCO3)Cl

InChI

InChI=1S/C17H20ClN3O5/c1-23-12-2-3-16(14(18)7-12)26-9-11-6-15(21-20-11)17(22)19-8-13-10-24-4-5-25-13/h2-3,6-7,13H,4-5,8-10H2,1H3,(H,19,22)(H,20,21)/t13-/m0/s1