3-(1-adamantyloxymethyl)-4-bromanyl-1-cyclohexyl-5-methoxy-pyrazole; 3-(1-adamantyloxymethyl)-1-cyclohexyl-5-methoxy-pyrazole

Systemtic Name: 3-(1-adamantyloxymethyl)-4-bromanyl-1-cyclohexyl-5-methoxy-pyrazole; 3-(1-adamantyloxymethyl)-1-cyclohexyl-5-methoxy-pyrazole Openeye Name: 3-(1-adamantyloxymethyl)-4-bromo-1-cyclohexyl-5-methoxy-pyrazole; 3-(1-adamantyloxymethyl)-1-cyclohexyl-5-methoxy-pyrazole CAS Name: 3-(1-adamantyloxymethyl)-4-bromo-1-cyclohexyl-5-methoxypyrazole; 3-(1-adamantyloxymethyl)-1-cyclohexyl-5-methoxypyrazole IUPAC Name: 3-(1-adamantyloxymethyl)-4-bromo-1-cyclohexyl-5-methoxypyrazole; 3-(1-adamantyloxymethyl)-1-cyclohexyl-5-methoxypyrazole Traditional Name: 3-(1-adamantyloxymethyl)-4-bromo-1-cyclohexyl-5-methoxy-pyrazole; 3-(1-adamantyloxymethyl)-1-cyclohexyl-5-methoxy-pyrazole Formula: C42H63BrN4O4 MolecularWeight: 767.87802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NN1C2CCCCC2)COC34CC5CC(C3)CC(C5)C4.COC1=C(C(=NN1C2CCCCC2)COC34CC5CC(C3)CC(C5)C4)Br

Isomeric SMILES

COC1=CC(=NN1C2CCCCC2)COC34CC5CC(C3)CC(C5)C4.COC1=C(C(=NN1C2CCCCC2)COC34CC5CC(C3)CC(C5)C4)Br

InChI

InChI=1S/C21H31BrN2O2.C21H32N2O2/c1-25-20-19(22)18(23-24(20)17-5-3-2-4-6-17)13-26-21-10-14-7-15(11-21)9-16(8-14)12-21;1-24-20-10-18(22-23(20)19-5-3-2-4-6-19)14-25-21-11-15-7-16(12-21)9-17(8-15)13-21/h14-17H,2-13H2,1H3;10,15-17,19H,2-9,11-14H2,1H3