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

Systemtic Name: N,1-bis(1-adamantyl)-N-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N,1-bis(1-adamantyl)-N-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N,1-bis(1-adamantyl)-N-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N,1-bis(1-adamantyl)-N-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N,1-bis(1-adamantyl)-N-methyl-4-nitro-pyrazole-3-carboxamide Formula: C25H34N4O3 MolecularWeight: 438.56246

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1=NN(C=C1[N+](=O)[O-])C23CC4CC(C2)CC(C4)C3)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CN(C(=O)C1=NN(C=C1[N+](=O)[O-])C23CC4CC(C2)CC(C4)C3)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C25H34N4O3/c1-27(24-8-15-2-16(9-24)4-17(3-15)10-24)23(30)22-21(29(31)32)14-28(26-22)25-11-18-5-19(12-25)7-20(6-18)13-25/h14-20H,2-13H2,1H3