N-(2-adamantyl)-1,3-diphenyl-pyrazole-4-carboxamide

Systemtic Name: N-(2-adamantyl)-1,3-diphenyl-pyrazole-4-carboxamide Openeye Name: N-(2-adamantyl)-1,3-diphenyl-pyrazole-4-carboxamide CAS Name: N-(2-adamantyl)-1,3-diphenyl-4-pyrazolecarboxamide IUPAC Name: N-(2-adamantyl)-1,3-diphenylpyrazole-4-carboxamide Traditional Name: N-(2-adamantyl)-1,3-diphenyl-pyrazole-4-carboxamide Formula: C26H27N3O MolecularWeight: 397.51208

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C26H27N3O/c30-26(27-24-20-12-17-11-18(14-20)15-21(24)13-17)23-16-29(22-9-5-2-6-10-22)28-25(23)19-7-3-1-4-8-19/h1-10,16-18,20-21,24H,11-15H2,(H,27,30)