1-(1-adamantyl)-4-nitro-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-4-nitro-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-4-nitro-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-4-nitro-N-(3,4,5-trimethoxyphenyl)-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-4-nitro-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-4-nitro-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide Formula: C23H28N4O6 MolecularWeight: 456.49162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28N4O6/c1-31-18-7-16(8-19(32-2)21(18)33-3)24-22(28)20-17(27(29)30)12-26(25-20)23-9-13-4-14(10-23)6-15(5-13)11-23/h7-8,12-15H,4-6,9-11H2,1-3H3,(H,24,28)