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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(4-fluorophenyl)ethyl]-1-methyl-pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(4-fluorophenyl)ethyl]-1-methyl-pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(4-fluorophenyl)ethyl]-1-methyl-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(4-fluorophenyl)ethyl]-1-methyl-pyrazole-4-carboxamide Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCCC4=CC=C(C=C4)F

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCCC4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3O3/c1-26-14-18(22(27)24-10-9-15-3-6-17(23)7-4-15)21(25-26)16-5-8-19-20(13-16)29-12-2-11-28-19/h3-8,13-14H,2,9-12H2,1H3,(H,24,27)