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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide Openeye Name: 5-(1,3-benzodioxol-5-yl)-1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide CAS Name: 5-(1,3-benzodioxol-5-yl)-1-ethyl-N-[(4-fluorophenyl)methyl]-3-pyrazolecarboxamide IUPAC Name: 5-(1,3-benzodioxol-5-yl)-1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide Traditional Name: 5-(1,3-benzodioxol-5-yl)-1-ethyl-N-(4-fluorobenzyl)pyrazole-3-carboxamide Formula: C20H18FN3O3 MolecularWeight: 367.373623

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C(=O)NCC2=CC=C(C=C2)F)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C(=CC(=N1)C(=O)NCC2=CC=C(C=C2)F)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18FN3O3/c1-2-24-17(14-5-8-18-19(9-14)27-12-26-18)10-16(23-24)20(25)22-11-13-3-6-15(21)7-4-13/h3-10H,2,11-12H2,1H3,(H,22,25)