N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluoranylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluoranylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-fluorophenoxy)methyl]-N-homoveratryl-pyrazole-3-carboxamide Formula: C21H22FN3O4 MolecularWeight: 399.415483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C21H22FN3O4/c1-27-19-8-3-15(13-20(19)28-2)9-11-23-21(26)18-10-12-25(24-18)14-29-17-6-4-16(22)5-7-17/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,23,26)