N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-fluorophenyl)-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-fluorophenyl)-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-fluorophenyl)-1-methyl-pyrazole-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-fluorophenyl)-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-fluorophenyl)-1-methylpyrazole-3-carboxamide Traditional Name: 5-(3-fluorophenyl)-N-homoveratryl-1-methyl-pyrazole-3-carboxamide Formula: C21H22FN3O3 MolecularWeight: 383.416083

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)C3=CC(=CC=C3)F

Isomeric SMILES

CN1C(=CC(=N1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H22FN3O3/c1-25-18(15-5-4-6-16(22)12-15)13-17(24-25)21(26)23-10-9-14-7-8-19(27-2)20(11-14)28-3/h4-8,11-13H,9-10H2,1-3H3,(H,23,26)