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

Systemtic Name: N,3-bis(1-adamantyl)-N-methyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: N,3-bis(1-adamantyl)-N-methyl-1-phenyl-pyrazole-4-carboxamide CAS Name: N,3-bis(1-adamantyl)-N-methyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N,3-bis(1-adamantyl)-N-methyl-1-phenylpyrazole-4-carboxamide Traditional Name: N,3-bis(1-adamantyl)-N-methyl-1-phenyl-pyrazole-4-carboxamide Formula: C31H39N3O MolecularWeight: 469.66086

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1=CN(N=C1C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5)C67CC8CC(C6)CC(C8)C7

Isomeric SMILES

CN(C(=O)C1=CN(N=C1C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5)C67CC8CC(C6)CC(C8)C7

InChI

InChI=1S/C31H39N3O/c1-33(31-16-23-10-24(17-31)12-25(11-23)18-31)29(35)27-19-34(26-5-3-2-4-6-26)32-28(27)30-13-20-7-21(14-30)9-22(8-20)15-30/h2-6,19-25H,7-18H2,1H3