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

Systemtic Name: 3-(1-adamantyl)-N-octadecyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-octadecyl-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-octadecyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-octadecyl-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-1-phenyl-N-stearyl-pyrazole-4-carboxamide Formula: C38H59N3O MolecularWeight: 573.89456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=CN(N=C1C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=CN(N=C1C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C38H59N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-39-37(42)35-30-41(34-21-18-17-19-22-34)40-36(35)38-27-31-24-32(28-38)26-33(25-31)29-38/h17-19,21-22,30-33H,2-16,20,23-29H2,1H3,(H,39,42)