(4-aminophenyl)-[3-(4-bromophenyl)-3-oxidanyl-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone

Systemtic Name: (4-aminophenyl)-[3-(4-bromophenyl)-3-oxidanyl-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone Openeye Name: (4-aminophenyl)-[3-(4-bromophenyl)-3-hydroxy-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone CAS Name: (4-aminophenyl)-[3-(4-bromophenyl)-3-hydroxy-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone IUPAC Name: (4-aminophenyl)-[3-(4-bromophenyl)-3-hydroxy-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone Traditional Name: (4-aminophenyl)-[5-(4-bromophenyl)-5-hydroxy-3-(trifluoromethyl)-3-pyrazolin-1-yl]methanone Formula: C17H13BrF3N3O2 MolecularWeight: 428.20323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N2C(C=C(N2)C(F)(F)F)(C3=CC=C(C=C3)Br)O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)N2C(C=C(N2)C(F)(F)F)(C3=CC=C(C=C3)Br)O)N

InChI

InChI=1S/C17H13BrF3N3O2/c18-12-5-3-11(4-6-12)16(26)9-14(17(19,20)21)23-24(16)15(25)10-1-7-13(22)8-2-10/h1-9,23,26H,22H2