N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-2-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-2-(4-nitropyrazol-1-yl)butyramide Formula: C15H21BrN6O3 MolecularWeight: 413.26964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCCN1C(=C(C(=N1)C)Br)C)N2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NCCCN1C(=C(C(=N1)C)Br)C)N2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C15H21BrN6O3/c1-4-13(21-9-12(8-18-21)22(24)25)15(23)17-6-5-7-20-11(3)14(16)10(2)19-20/h8-9,13H,4-7H2,1-3H3,(H,17,23)