5-(1-adamantylmethyl)-2-phenyl-4H-pyrazol-3-one

Systemtic Name: 5-(1-adamantylmethyl)-2-phenyl-4H-pyrazol-3-one Openeye Name: 5-(1-adamantylmethyl)-2-phenyl-4H-pyrazol-3-one CAS Name: 5-(1-adamantylmethyl)-2-phenyl-4H-pyrazol-3-one IUPAC Name: 5-(1-adamantylmethyl)-2-phenyl-4H-pyrazol-3-one Traditional Name: 5-(1-adamantylmethyl)-2-phenyl-2-pyrazolin-3-one Formula: C20H24N2O MolecularWeight: 308.41736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC4=NN(C(=O)C4)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC4=NN(C(=O)C4)C5=CC=CC=C5

InChI

InChI=1S/C20H24N2O/c23-19-9-17(21-22(19)18-4-2-1-3-5-18)13-20-10-14-6-15(11-20)8-16(7-14)12-20/h1-5,14-16H,6-13H2