1-(1-adamantyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-nitro-pyrazole-3-carboxamide Formula: C22H31N5O3 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1CC(C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN1C2CCC1CC(C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C22H31N5O3/c1-25-17-2-3-18(25)8-16(7-17)23-21(28)20-19(27(29)30)12-26(24-20)22-9-13-4-14(10-22)6-15(5-13)11-22/h12-18H,2-11H2,1H3,(H,23,28)