4-(1-adamantyl)-2-methyl-1-phenyl-pyrazol-3-one

Systemtic Name: 4-(1-adamantyl)-2-methyl-1-phenyl-pyrazol-3-one Openeye Name: 4-(1-adamantyl)-2-methyl-1-phenyl-pyrazol-3-one CAS Name: 4-(1-adamantyl)-2-methyl-1-phenyl-3-pyrazolone IUPAC Name: 4-(1-adamantyl)-2-methyl-1-phenylpyrazol-3-one Traditional Name: 4-(1-adamantyl)-2-methyl-1-phenyl-3-pyrazolin-3-one Formula: C20H24N2O MolecularWeight: 308.41736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CN1C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C(=O)C(=CN1C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H24N2O/c1-21-19(23)18(13-22(21)17-5-3-2-4-6-17)20-10-14-7-15(11-20)9-16(8-14)12-20/h2-6,13-16H,7-12H2,1H3