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

Systemtic Name: 1-adamantyl-[3-(3-bromophenyl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]methanone Openeye Name: 1-adamantyl-[3-(3-bromophenyl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]methanone CAS Name: 1-adamantyl-[3-(3-bromophenyl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]methanone IUPAC Name: 1-adamantyl-[3-(3-bromophenyl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]methanone Traditional Name: 1-adamantyl-[5-(3-bromophenyl)-3-(4-bromophenyl)-2-pyrazolin-1-yl]methanone Formula: C26H26Br2N2O MolecularWeight: 542.30544

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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(=CC=C6)Br

Isomeric SMILES

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

InChI

InChI=1S/C26H26Br2N2O/c27-21-6-4-19(5-7-21)23-12-24(20-2-1-3-22(28)11-20)30(29-23)25(31)26-13-16-8-17(14-26)10-18(9-16)15-26/h1-7,11,16-18,24H,8-10,12-15H2