N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide Traditional Name: 5-(4-fluorophenyl)-N-homopiperonyl-1H-pyrazole-4-carboxamide Formula: C19H16FN3O3 MolecularWeight: 353.347043

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC(=O)C3=C(NN=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC(=O)C3=C(NN=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H16FN3O3/c20-14-4-2-13(3-5-14)18-15(10-22-23-18)19(24)21-8-7-12-1-6-16-17(9-12)26-11-25-16/h1-6,9-10H,7-8,11H2,(H,21,24)(H,22,23)