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

Systemtic Name: N-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-3-[(4-nitropyrazol-1-yl)methyl]benzamide Openeye Name: N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-3-[(4-nitropyrazol-1-yl)methyl]benzamide CAS Name: N-[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-3-[(4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-3-[(4-nitropyrazol-1-yl)methyl]benzamide Formula: C23H21BrN6O3 MolecularWeight: 509.35524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)CN4C=C(C=N4)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)CN4C=C(C=N4)[N+](=O)[O-])C)Br

InChI

InChI=1S/C23H21BrN6O3/c1-15-22(24)16(2)29(27-15)13-18-6-4-8-20(10-18)26-23(31)19-7-3-5-17(9-19)12-28-14-21(11-25-28)30(32)33/h3-11,14H,12-13H2,1-2H3,(H,26,31)