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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[(E)-(4-fluorophenyl)methyleneamino]-1H-pyrazole-5-carboxamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[(E)-(4-fluorobenzylidene)amino]-1H-pyrazole-5-carboxamide Formula: C18H13FN4O3 MolecularWeight: 352.319223

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)NN=CC4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)N/N=C/C4=CC=C(C=C4)F

InChI

InChI=1S/C18H13FN4O3/c19-13-4-1-11(2-5-13)9-20-23-18(24)15-8-14(21-22-15)12-3-6-16-17(7-12)26-10-25-16/h1-9H,10H2,(H,21,22)(H,23,24)/b20-9+