5-azanyl-3-[4-[[2,5-bis(fluoranyl)phenyl]carbamoylamino]phenyl]-1-tert-butyl-pyrazole-4-carboxamide

Systemtic Name: 5-azanyl-3-[4-[[2,5-bis(fluoranyl)phenyl]carbamoylamino]phenyl]-1-tert-butyl-pyrazole-4-carboxamide Openeye Name: 5-amino-1-tert-butyl-3-[4-[(2,5-difluorophenyl)carbamoylamino]phenyl]pyrazole-4-carboxamide CAS Name: 5-amino-1-tert-butyl-3-[4-[[(2,5-difluoroanilino)-oxomethyl]amino]phenyl]-4-pyrazolecarboxamide IUPAC Name: 5-amino-1-tert-butyl-3-[4-[(2,5-difluorophenyl)carbamoylamino]phenyl]pyrazole-4-carboxamide Traditional Name: 5-amino-1-tert-butyl-3-[4-[(2,5-difluorophenyl)carbamoylamino]phenyl]pyrazole-4-carboxamide Formula: C21H22F2N6O2 MolecularWeight: 428.435186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C(=N1)C2=CC=C(C=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N)N

Isomeric SMILES

CC(C)(C)N1C(=C(C(=N1)C2=CC=C(C=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N)N

InChI

InChI=1S/C21H22F2N6O2/c1-21(2,3)29-18(24)16(19(25)30)17(28-29)11-4-7-13(8-5-11)26-20(31)27-15-10-12(22)6-9-14(15)23/h4-10H,24H2,1-3H3,(H2,25,30)(H2,26,27,31)