1-(1-adamantyl)-N-butyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-butyl-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-butyl-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-butyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-butyl-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-butyl-4-nitro-pyrazole-3-carboxamide Formula: C18H26N4O3 MolecularWeight: 346.42404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=NN(C=C1[N+](=O)[O-])C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCNC(=O)C1=NN(C=C1[N+](=O)[O-])C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H26N4O3/c1-2-3-4-19-17(23)16-15(22(24)25)11-21(20-16)18-8-12-5-13(9-18)7-14(6-12)10-18/h11-14H,2-10H2,1H3,(H,19,23)