5-(1-adamantyloxymethyl)-2-(2-methylphenyl)-1H-pyrazol-3-one

Systemtic Name: 5-(1-adamantyloxymethyl)-2-(2-methylphenyl)-1H-pyrazol-3-one Openeye Name: 5-(1-adamantyloxymethyl)-2-(o-tolyl)-1H-pyrazol-3-one CAS Name: 5-(1-adamantyloxymethyl)-2-(2-methylphenyl)-1H-pyrazol-3-one IUPAC Name: 5-(1-adamantyloxymethyl)-2-(2-methylphenyl)-1H-pyrazol-3-one Traditional Name: 5-(1-adamantyloxymethyl)-2-(o-tolyl)-3-pyrazolin-3-one Formula: C21H26N2O2 MolecularWeight: 338.44334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C=C(N2)COC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C=C(N2)COC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H26N2O2/c1-14-4-2-3-5-19(14)23-20(24)9-18(22-23)13-25-21-10-15-6-16(11-21)8-17(7-15)12-21/h2-5,9,15-17,22H,6-8,10-13H2,1H3