4-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-2-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-one

Systemtic Name: 4-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-2-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-one Openeye Name: 4-[3-(azepan-1-yl)-3-oxo-propyl]-2-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-one CAS Name: 4-[3-(1-azepanyl)-3-oxopropyl]-2-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-one IUPAC Name: 4-[3-(azepan-1-yl)-3-oxopropyl]-2-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-one Traditional Name: 4-[3-(azepan-1-yl)-3-keto-propyl]-2-(4-fluorophenyl)-5-methyl-3-pyrazolin-3-one Formula: C19H24FN3O2 MolecularWeight: 345.411163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)F)CCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)F)CCC(=O)N3CCCCCC3

InChI

InChI=1S/C19H24FN3O2/c1-14-17(10-11-18(24)22-12-4-2-3-5-13-22)19(25)23(21-14)16-8-6-15(20)7-9-16/h6-9,21H,2-5,10-13H2,1H3