N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxamide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolecarboxamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide Traditional Name: 1-(4-fluorophenyl)-2,5-dimethyl-N-[(E)-piperonylideneamino]pyrrole-3-carboxamide Formula: C21H18FN3O3 MolecularWeight: 379.384323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)NN=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)N/N=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H18FN3O3/c1-13-9-18(14(2)25(13)17-6-4-16(22)5-7-17)21(26)24-23-11-15-3-8-19-20(10-15)28-12-27-19/h3-11H,12H2,1-2H3,(H,24,26)/b23-11+