N-[3-(4-bromanylpyrazol-1-yl)propyl]-3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide

Systemtic Name: N-[3-(4-bromanylpyrazol-1-yl)propyl]-3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-[3-(4-bromo-1-pyrazolyl)propyl]-3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C19H21BrN6O3 MolecularWeight: 461.31244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NCCCN3C=C(C=N3)Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NCCCN3C=C(C=N3)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21BrN6O3/c1-13-18(26(28)29)14(2)25(23-13)11-15-5-3-6-16(9-15)19(27)21-7-4-8-24-12-17(20)10-22-24/h3,5-6,9-10,12H,4,7-8,11H2,1-2H3,(H,21,27)