1-adamantyl-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone

Systemtic Name: 1-adamantyl-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone Openeye Name: 1-adamantyl-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone CAS Name: 1-adamantyl-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone IUPAC Name: 1-adamantyl-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone Traditional Name: 1-adamantyl-[(5R)-3-(4-bromophenyl)-5-(4-fluorophenyl)-2-pyrazolin-1-yl]methanone Formula: C26H26BrFN2O MolecularWeight: 481.399843

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)N4C(CC(=N4)C5=CC=C(C=C5)Br)C6=CC=C(C=C6)F

Isomeric SMILES

C1[C@@H](N(N=C1C2=CC=C(C=C2)Br)C(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)F

InChI

InChI=1S/C26H26BrFN2O/c27-21-5-1-19(2-6-21)23-12-24(20-3-7-22(28)8-4-20)30(29-23)25(31)26-13-16-9-17(14-26)11-18(10-16)15-26/h1-8,16-18,24H,9-15H2/t16?,17?,18?,24-,26?/m1/s1