N3,N5-bis(4-cyclohexylphenyl)-1-methyl-4-nitro-pyrazole-3,5-dicarboxamide

Systemtic Name: N3,N5-bis(4-cyclohexylphenyl)-1-methyl-4-nitro-pyrazole-3,5-dicarboxamide Openeye Name: N3,N5-bis(4-cyclohexylphenyl)-1-methyl-4-nitro-pyrazole-3,5-dicarboxamide CAS Name: N3,N5-bis(4-cyclohexylphenyl)-1-methyl-4-nitropyrazole-3,5-dicarboxamide IUPAC Name: 3-N,5-N-bis(4-cyclohexylphenyl)-1-methyl-4-nitropyrazole-3,5-dicarboxamide Traditional Name: N,N'-bis(4-cyclohexylphenyl)-1-methyl-4-nitro-pyrazole-3,5-dicarboxamide Formula: C30H35N5O4 MolecularWeight: 529.63

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(=O)NC2=CC=C(C=C2)C3CCCCC3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

CN1C(=C(C(=N1)C(=O)NC2=CC=C(C=C2)C3CCCCC3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C30H35N5O4/c1-34-28(30(37)32-25-18-14-23(15-19-25)21-10-6-3-7-11-21)27(35(38)39)26(33-34)29(36)31-24-16-12-22(13-17-24)20-8-4-2-5-9-20/h12-21H,2-11H2,1H3,(H,31,36)(H,32,37)