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

Systemtic Name: 1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-4-nitro-N-piperonyl-pyrazole-3-carboxamide Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NCC5=CC6=C(C=C5)OCO6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NCC5=CC6=C(C=C5)OCO6)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O5/c27-21(23-10-13-1-2-18-19(6-13)31-12-30-18)20-17(26(28)29)11-25(24-20)22-7-14-3-15(8-22)5-16(4-14)9-22/h1-2,6,11,14-16H,3-5,7-10,12H2,(H,23,27)