3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(4-fluoranylphenoxy)butyl]-1-methyl-pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(4-fluoranylphenoxy)butyl]-1-methyl-pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(4-fluorophenoxy)butyl]-1-methyl-pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(4-fluorophenoxy)butyl]-1-methyl-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(4-fluorophenoxy)butyl]-1-methylpyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(4-fluorophenoxy)butyl]-1-methyl-pyrazole-4-carboxamide Formula: C24H26FN3O4 MolecularWeight: 439.479343

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCCCCOC4=CC=C(C=C4)F

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCCCCOC4=CC=C(C=C4)F

InChI

InChI=1S/C24H26FN3O4/c1-28-16-20(23(27-28)17-5-10-21-22(15-17)32-14-4-13-31-21)24(29)26-11-2-3-12-30-19-8-6-18(25)7-9-19/h5-10,15-16H,2-4,11-14H2,1H3,(H,26,29)