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

Systemtic Name: 4-chloranyl-3,5-bis(3,4-dimethylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole Openeye Name: 4-chloro-3,5-bis(3,4-dimethylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole CAS Name: 4-chloro-3,5-bis(3,4-dimethylphenyl)-1-[(4-nitro-1-pyrazolyl)methyl]pyrazole IUPAC Name: 4-chloro-3,5-bis(3,4-dimethylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole Traditional Name: 4-chloro-3,5-bis(3,4-dimethylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole Formula: C23H22ClN5O2 MolecularWeight: 435.90608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN5O2/c1-14-5-7-18(9-16(14)3)22-21(24)23(19-8-6-15(2)17(4)10-19)28(26-22)13-27-12-20(11-25-27)29(30)31/h5-12H,13H2,1-4H3