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

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

Systemtic Name:1-(1-adamantyl)-4-nitro-N-octadecyl-pyrazole-3-carboxamide
Openeye Name:1-(1-adamantyl)-4-nitro-N-octadecyl-pyrazole-3-carboxamide
CAS Name:1-(1-adamantyl)-4-nitro-N-octadecyl-3-pyrazolecarboxamide
IUPAC Name:1-(1-adamantyl)-4-nitro-N-octadecylpyrazole-3-carboxamide
Traditional Name:1-(1-adamantyl)-4-nitro-N-stearyl-pyrazole-3-carboxamide
Formula: C32H54N4O3
MolecularWeight: 542.79616
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C32H54N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-33-31(37)30-29(36(38)39)25-35(34-30)32-22-26-19-27(23-32)21-28(20-26)24-32/h25-28H,2-24H2,1H3,(H,33,37)


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