4-(1-adamantyl)-3-(4-pyrrol-1-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole

Systemtic Name: 4-(1-adamantyl)-3-(4-pyrrol-1-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole Openeye Name: 4-(1-adamantyl)-3-(4-pyrrol-1-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole CAS Name: 4-(1-adamantyl)-3-[4-(1-pyrrolyl)phenyl]-5-(trifluoromethyl)-1H-pyrazole IUPAC Name: 4-(1-adamantyl)-3-(4-pyrrol-1-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole Traditional Name: 4-(1-adamantyl)-3-(4-pyrrol-1-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole Formula: C24H24F3N3 MolecularWeight: 411.46267

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(NN=C4C5=CC=C(C=C5)N6C=CC=C6)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(NN=C4C5=CC=C(C=C5)N6C=CC=C6)C(F)(F)F

InChI

InChI=1S/C24H24F3N3/c25-24(26,27)22-20(23-12-15-9-16(13-23)11-17(10-15)14-23)21(28-29-22)18-3-5-19(6-4-18)30-7-1-2-8-30/h1-8,15-17H,9-14H2,(H,28,29)