2-(4-fluorophenyl)-5-(4-methoxyphenyl)-4-[C-methyl-N-(3-oxidanylpropyl)carbonimidoyl]-4H-pyrazol-3-one

Systemtic Name: 2-(4-fluorophenyl)-5-(4-methoxyphenyl)-4-[C-methyl-N-(3-oxidanylpropyl)carbonimidoyl]-4H-pyrazol-3-one Openeye Name: 2-(4-fluorophenyl)-4-[N-(3-hydroxypropyl)-C-methyl-carbonimidoyl]-5-(4-methoxyphenyl)-4H-pyrazol-3-one CAS Name: 2-(4-fluorophenyl)-4-[1-(3-hydroxypropylimino)ethyl]-5-(4-methoxyphenyl)-4H-pyrazol-3-one IUPAC Name: 2-(4-fluorophenyl)-4-[N-(3-hydroxypropyl)-C-methylcarbonimidoyl]-5-(4-methoxyphenyl)-4H-pyrazol-3-one Traditional Name: 2-(4-fluorophenyl)-4-[N-(3-hydroxypropyl)-C-methyl-carbonimidoyl]-5-(4-methoxyphenyl)-2-pyrazolin-3-one Formula: C21H22FN3O3 MolecularWeight: 383.416083

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCCCO)C1C(=NN(C1=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=NCCCO)C1C(=NN(C1=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22FN3O3/c1-14(23-12-3-13-26)19-20(15-4-10-18(28-2)11-5-15)24-25(21(19)27)17-8-6-16(22)7-9-17/h4-11,19,26H,3,12-13H2,1-2H3