1-(1-adamantyl)-N-(1-methylbenzimidazol-2-yl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-(1-methylbenzimidazol-2-yl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(1-methylbenzimidazol-2-yl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(1-methyl-2-benzimidazolyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(1-methylbenzimidazol-2-yl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(1-methylbenzimidazol-2-yl)-4-nitro-pyrazole-3-carboxamide Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN1C2=CC=CC=C2N=C1NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C22H24N6O3/c1-26-17-5-3-2-4-16(17)23-21(26)24-20(29)19-18(28(30)31)12-27(25-19)22-9-13-6-14(10-22)8-15(7-13)11-22/h2-5,12-15H,6-11H2,1H3,(H,23,24,29)