N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-[1-[(4-bromophenoxy)methyl]-4-pyrazolyl]-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butyramide Formula: C17H17BrN6O4 MolecularWeight: 449.25868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CN(N=C1)COC2=CC=C(C=C2)Br)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CN(N=C1)COC2=CC=C(C=C2)Br)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H17BrN6O4/c1-2-16(23-10-14(8-20-23)24(26)27)17(25)21-13-7-19-22(9-13)11-28-15-5-3-12(18)4-6-15/h3-10,16H,2,11H2,1H3,(H,21,25)