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

Systemtic Name: 5-(1-adamantyloxymethyl)-4-bromanyl-2-cyclohexyl-1H-pyrazol-3-one Openeye Name: 5-(1-adamantyloxymethyl)-4-bromo-2-cyclohexyl-1H-pyrazol-3-one CAS Name: 5-(1-adamantyloxymethyl)-4-bromo-2-cyclohexyl-1H-pyrazol-3-one IUPAC Name: 5-(1-adamantyloxymethyl)-4-bromo-2-cyclohexyl-1H-pyrazol-3-one Traditional Name: 5-(1-adamantyloxymethyl)-4-bromo-2-cyclohexyl-3-pyrazolin-3-one Formula: C20H29BrN2O2 MolecularWeight: 409.36046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(=C(N2)COC34CC5CC(C3)CC(C5)C4)Br

Isomeric SMILES

C1CCC(CC1)N2C(=O)C(=C(N2)COC34CC5CC(C3)CC(C5)C4)Br

InChI

InChI=1S/C20H29BrN2O2/c21-18-17(22-23(19(18)24)16-4-2-1-3-5-16)12-25-20-9-13-6-14(10-20)8-15(7-13)11-20/h13-16,22H,1-12H2