N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[2-(tert-butylamino)-2-oxo-ethyl]-1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-[2-(tert-butylamino)-2-oxoethyl]-1-(2-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[2-(tert-butylamino)-2-oxoethyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-[2-(tert-butylamino)-2-keto-ethyl]-1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C20H22FN5O2 MolecularWeight: 383.419383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CNC(=O)C1=C(N(N=C1)C2=CC=CC=C2F)N3C=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)CNC(=O)C1=C(N(N=C1)C2=CC=CC=C2F)N3C=CC=C3

InChI

InChI=1S/C20H22FN5O2/c1-20(2,3)24-17(27)13-22-18(28)14-12-23-26(16-9-5-4-8-15(16)21)19(14)25-10-6-7-11-25/h4-12H,13H2,1-3H3,(H,22,28)(H,24,27)