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

Systemtic Name: N-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-2-(4-nitropyrazol-1-yl)butyramide Formula: C19H21BrN6O3 MolecularWeight: 461.31244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)CN2C(=C(C(=N2)C)Br)C)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)CN2C(=C(C(=N2)C)Br)C)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H21BrN6O3/c1-4-17(25-11-16(9-21-25)26(28)29)19(27)22-15-7-5-6-14(8-15)10-24-13(3)18(20)12(2)23-24/h5-9,11,17H,4,10H2,1-3H3,(H,22,27)