4-bromanyl-3,5-bis(4-methylphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole

Systemtic Name: 4-bromanyl-3,5-bis(4-methylphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole Openeye Name: 4-bromo-1-[(3-nitropyrazol-1-yl)methyl]-3,5-bis(p-tolyl)pyrazole CAS Name: 4-bromo-3,5-bis(4-methylphenyl)-1-[(3-nitro-1-pyrazolyl)methyl]pyrazole IUPAC Name: 4-bromo-3,5-bis(4-methylphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole Traditional Name: 4-bromo-1-[(3-nitropyrazol-1-yl)methyl]-3,5-bis(p-tolyl)pyrazole Formula: C21H18BrN5O2 MolecularWeight: 452.30392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NN2CN3C=CC(=N3)[N+](=O)[O-])C4=CC=C(C=C4)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NN2CN3C=CC(=N3)[N+](=O)[O-])C4=CC=C(C=C4)C)Br

InChI

InChI=1S/C21H18BrN5O2/c1-14-3-7-16(8-4-14)20-19(22)21(17-9-5-15(2)6-10-17)26(24-20)13-25-12-11-18(23-25)27(28)29/h3-12H,13H2,1-2H3