N-(2-adamantyl)-5-(4-oxidanylbutylamino)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-(2-adamantyl)-5-(4-oxidanylbutylamino)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(2-adamantyl)-5-(4-hydroxybutylamino)-1-phenyl-pyrazole-4-carboxamide CAS Name: N-(2-adamantyl)-5-(4-hydroxybutylamino)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(2-adamantyl)-5-(4-hydroxybutylamino)-1-phenylpyrazole-4-carboxamide Traditional Name: N-(2-adamantyl)-5-(4-hydroxybutylamino)-1-phenyl-pyrazole-4-carboxamide Formula: C24H32N4O2 MolecularWeight: 408.53648

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C4=C(N(N=C4)C5=CC=CC=C5)NCCCCO

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C4=C(N(N=C4)C5=CC=CC=C5)NCCCCO

InChI

InChI=1S/C24H32N4O2/c29-9-5-4-8-25-23-21(15-26-28(23)20-6-2-1-3-7-20)24(30)27-22-18-11-16-10-17(13-18)14-19(22)12-16/h1-3,6-7,15-19,22,25,29H,4-5,8-14H2,(H,27,30)