N-(2-adamantyl)-5-(3-oxidanylpropylamino)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-(2-adamantyl)-5-(3-oxidanylpropylamino)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(2-adamantyl)-5-(3-hydroxypropylamino)-1-phenyl-pyrazole-4-carboxamide CAS Name: N-(2-adamantyl)-5-(3-hydroxypropylamino)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(2-adamantyl)-5-(3-hydroxypropylamino)-1-phenylpyrazole-4-carboxamide Traditional Name: N-(2-adamantyl)-5-(3-hydroxypropylamino)-1-phenyl-pyrazole-4-carboxamide Formula: C23H30N4O2 MolecularWeight: 394.5099

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O2/c28-8-4-7-24-22-20(14-25-27(22)19-5-2-1-3-6-19)23(29)26-21-17-10-15-9-16(12-17)13-18(21)11-15/h1-3,5-6,14-18,21,24,28H,4,7-13H2,(H,26,29)