N-(2-adamantyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide

Systemtic Name: N-(2-adamantyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide Openeye Name: N-(2-adamantyl)-4-[3-(3-pyridyl)-5-(trifluoromethyl)pyrazol-1-yl]benzamide CAS Name: N-(2-adamantyl)-4-[3-(3-pyridinyl)-5-(trifluoromethyl)-1-pyrazolyl]benzamide IUPAC Name: N-(2-adamantyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide Traditional Name: N-(2-adamantyl)-4-[3-(3-pyridyl)-5-(trifluoromethyl)pyrazol-1-yl]benzamide Formula: C26H25F3N4O MolecularWeight: 466.49811

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C4=CC=C(C=C4)N5C(=CC(=N5)C6=CN=CC=C6)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C4=CC=C(C=C4)N5C(=CC(=N5)C6=CN=CC=C6)C(F)(F)F

InChI

InChI=1S/C26H25F3N4O/c27-26(28,29)23-13-22(18-2-1-7-30-14-18)32-33(23)21-5-3-17(4-6-21)25(34)31-24-19-9-15-8-16(11-19)12-20(24)10-15/h1-7,13-16,19-20,24H,8-12H2,(H,31,34)