4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-2-one

Systemtic Name: 4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-2-one Openeye Name: 4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-2-one CAS Name: 4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-pyrazolyl]methyl]-2-piperazinone IUPAC Name: 4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-2-one Traditional Name: 4-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-2-one Formula: C21H21FN4O2 MolecularWeight: 380.415443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)CN4CCNC(=O)C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)CN4CCNC(=O)C4

InChI

InChI=1S/C21H21FN4O2/c1-28-19-7-5-18(6-8-19)26-13-16(12-25-10-9-23-20(27)14-25)21(24-26)15-3-2-4-17(22)11-15/h2-8,11,13H,9-10,12,14H2,1H3,(H,23,27)