[5-azanyl-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methanone

Systemtic Name: [5-azanyl-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methanone Openeye Name: [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methanone CAS Name: [5-amino-1-(4-fluorophenyl)-4-pyrazolyl]-[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone IUPAC Name: [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone Traditional Name: [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methanone Formula: C21H18FN3O2 MolecularWeight: 363.384923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC(=CC=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N)O

Isomeric SMILES

CC(C)(C#CC1=CC(=CC=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N)O

InChI

InChI=1S/C21H18FN3O2/c1-21(2,27)11-10-14-4-3-5-15(12-14)19(26)18-13-24-25(20(18)23)17-8-6-16(22)7-9-17/h3-9,12-13,27H,23H2,1-2H3