N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide

Systemtic Name: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide Openeye Name: N-[2-(tert-butylamino)-2-oxo-ethyl]-1-(4-fluorophenyl)-3-(m-tolyl)pyrazole-4-carboxamide CAS Name: N-[2-(tert-butylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)-4-pyrazolecarboxamide IUPAC Name: N-[2-(tert-butylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide Traditional Name: N-[2-(tert-butylamino)-2-keto-ethyl]-1-(4-fluorophenyl)-3-(m-tolyl)pyrazole-4-carboxamide Formula: C23H25FN4O2 MolecularWeight: 408.468603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)NCC(=O)NC(C)(C)C)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)NCC(=O)NC(C)(C)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H25FN4O2/c1-15-6-5-7-16(12-15)21-19(22(30)25-13-20(29)26-23(2,3)4)14-28(27-21)18-10-8-17(24)9-11-18/h5-12,14H,13H2,1-4H3,(H,25,30)(H,26,29)