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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(4-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: 1-(4-fluorophenyl)-N-homopiperonyl-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C23H19FN4O3 MolecularWeight: 418.420363

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N5C=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N5C=CC=C5

InChI

InChI=1S/C23H19FN4O3/c24-17-4-6-18(7-5-17)28-23(27-11-1-2-12-27)19(14-26-28)22(29)25-10-9-16-3-8-20-21(13-16)31-15-30-20/h1-8,11-14H,9-10,15H2,(H,25,29)