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

Systemtic Name: 1-(1-adamantyl)-N-(3,4-dimethoxyphenyl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(3,4-dimethoxyphenyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(3,4-dimethoxyphenyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(3,4-dimethoxyphenyl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(3,4-dimethoxyphenyl)-4-nitro-pyrazole-3-carboxamide Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C22H26N4O5/c1-30-18-4-3-16(8-19(18)31-2)23-21(27)20-17(26(28)29)12-25(24-20)22-9-13-5-14(10-22)7-15(6-13)11-22/h3-4,8,12-15H,5-7,9-11H2,1-2H3,(H,23,27)