N-(5,5-dimethylhexyl)-N-phenyl-2-[3,4,5-tris(bromanyl)pyrazol-1-yl]propanamide

Systemtic Name: N-(5,5-dimethylhexyl)-N-phenyl-2-[3,4,5-tris(bromanyl)pyrazol-1-yl]propanamide Openeye Name: N-(5,5-dimethylhexyl)-N-phenyl-2-(3,4,5-tribromopyrazol-1-yl)propanamide CAS Name: N-(5,5-dimethylhexyl)-N-phenyl-2-(3,4,5-tribromo-1-pyrazolyl)propanamide IUPAC Name: N-(5,5-dimethylhexyl)-N-phenyl-2-(3,4,5-tribromopyrazol-1-yl)propanamide Traditional Name: N-(5,5-dimethylhexyl)-N-phenyl-2-(3,4,5-tribromopyrazol-1-yl)propionamide Formula: C20H26Br3N3O MolecularWeight: 564.15194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCCCC(C)(C)C)C1=CC=CC=C1)N2C(=C(C(=N2)Br)Br)Br

Isomeric SMILES

CC(C(=O)N(CCCCC(C)(C)C)C1=CC=CC=C1)N2C(=C(C(=N2)Br)Br)Br

InChI

InChI=1S/C20H26Br3N3O/c1-14(26-18(23)16(21)17(22)24-26)19(27)25(15-10-6-5-7-11-15)13-9-8-12-20(2,3)4/h5-7,10-11,14H,8-9,12-13H2,1-4H3