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

Systemtic Name: 4-bromanyl-3,5-bis(3,4-dimethylphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole Openeye Name: 4-bromo-3,5-bis(3,4-dimethylphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole CAS Name: 4-bromo-3,5-bis(3,4-dimethylphenyl)-1-[(3-nitro-1-pyrazolyl)methyl]pyrazole IUPAC Name: 4-bromo-3,5-bis(3,4-dimethylphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole Traditional Name: 4-bromo-3,5-bis(3,4-dimethylphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole Formula: C23H22BrN5O2 MolecularWeight: 480.35708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrN5O2/c1-14-5-7-18(11-16(14)3)22-21(24)23(19-8-6-15(2)17(4)12-19)28(26-22)13-27-10-9-20(25-27)29(30)31/h5-12H,13H2,1-4H3