5-(1-adamantyloxymethyl)-4-bromanyl-2-cyclohexyl-1-methyl-pyrazol-3-one

Systemtic Name: 5-(1-adamantyloxymethyl)-4-bromanyl-2-cyclohexyl-1-methyl-pyrazol-3-one Openeye Name: 5-(1-adamantyloxymethyl)-4-bromo-2-cyclohexyl-1-methyl-pyrazol-3-one CAS Name: 5-(1-adamantyloxymethyl)-4-bromo-2-cyclohexyl-1-methyl-3-pyrazolone IUPAC Name: 5-(1-adamantyloxymethyl)-4-bromo-2-cyclohexyl-1-methylpyrazol-3-one Traditional Name: 5-(1-adamantyloxymethyl)-4-bromo-2-cyclohexyl-1-methyl-3-pyrazolin-3-one Formula: C21H31BrN2O2 MolecularWeight: 423.38704

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2CCCCC2)Br)COC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C(=C(C(=O)N1C2CCCCC2)Br)COC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H31BrN2O2/c1-23-18(19(22)20(25)24(23)17-5-3-2-4-6-17)13-26-21-10-14-7-15(11-21)9-16(8-14)12-21/h14-17H,2-13H2,1H3