5-(1-adamantyl)-1,2-dihydropyrazol-3-one

Systemtic Name: 5-(1-adamantyl)-1,2-dihydropyrazol-3-one Openeye Name: 5-(1-adamantyl)-1,2-dihydropyrazol-3-one CAS Name: 5-(1-adamantyl)-1,2-dihydropyrazol-3-one IUPAC Name: 5-(1-adamantyl)-1,2-dihydropyrazol-3-one Traditional Name: 5-(1-adamantyl)-3-pyrazolin-3-one Formula: C13H18N2O MolecularWeight: 218.29482

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=O)NN4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=O)NN4

InChI

InChI=1S/C13H18N2O/c16-12-4-11(14-15-12)13-5-8-1-9(6-13)3-10(2-8)7-13/h4,8-10H,1-3,5-7H2,(H2,14,15,16)