N-[(2S)-butan-2-yl]-5-(3,4-dimethylphenyl)-2-(4-fluorophenyl)pyrazole-3-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-5-(3,4-dimethylphenyl)-2-(4-fluorophenyl)pyrazole-3-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-N-[(1S)-1-methylpropyl]pyrazole-3-carboxamide CAS Name: N-[(2S)-butan-2-yl]-5-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-3-pyrazolecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-5-(3,4-dimethylphenyl)-2-(4-fluorophenyl)pyrazole-3-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-N-[(1S)-1-methylpropyl]pyrazole-3-carboxamide Formula: C22H24FN3O MolecularWeight: 365.443863

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC(=NN1C2=CC=C(C=C2)F)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC(=NN1C2=CC=C(C=C2)F)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C22H24FN3O/c1-5-16(4)24-22(27)21-13-20(17-7-6-14(2)15(3)12-17)25-26(21)19-10-8-18(23)9-11-19/h6-13,16H,5H2,1-4H3,(H,24,27)/t16-/m0/s1