4-butyl-N-(4-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-3H-pyrazole-2-carboxamide

Systemtic Name: 4-butyl-N-(4-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-3H-pyrazole-2-carboxamide Openeye Name: 4-butyl-N-(4-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-3H-pyrazole-2-carboxamide CAS Name: 4-butyl-N-(4-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-3H-pyrazole-2-carboxamide IUPAC Name: 4-butyl-N-(4-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-3H-pyrazole-2-carboxamide Traditional Name: 4-butyl-N-(4-chlorophenyl)-3-(4-fluorophenyl)-4-methyl-2-pyrazoline-1-carboxamide Formula: C21H23ClFN3O MolecularWeight: 387.878223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CN(N=C1C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCCCC1(CN(N=C1C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H23ClFN3O/c1-3-4-13-21(2)14-26(20(27)24-18-11-7-16(22)8-12-18)25-19(21)15-5-9-17(23)10-6-15/h5-12H,3-4,13-14H2,1-2H3,(H,24,27)