N-[2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-2-keto-ethyl]-piperonylamide Formula: C26H21FN4O4 MolecularWeight: 472.467743

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)NCC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)NCC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C26H21FN4O4/c27-20-9-6-17(7-10-20)25-19(15-31(30-25)21-4-2-1-3-5-21)13-28-24(32)14-29-26(33)18-8-11-22-23(12-18)35-16-34-22/h1-12,15H,13-14,16H2,(H,28,32)(H,29,33)