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

Systemtic Name: N-(1-adamantyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide Openeye Name: N-(1-adamantyl)-4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzamide CAS Name: N-(1-adamantyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]benzamide IUPAC Name: N-(1-adamantyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide Traditional Name: N-(1-adamantyl)-4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzamide Formula: C25H24F3N3OS MolecularWeight: 471.53777

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=C(C=C4)N5C(=CC(=N5)C(F)(F)F)C6=CC=CS6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=C(C=C4)N5C(=CC(=N5)C(F)(F)F)C6=CC=CS6

InChI

InChI=1S/C25H24F3N3OS/c26-25(27,28)22-11-20(21-2-1-7-33-21)31(30-22)19-5-3-18(4-6-19)23(32)29-24-12-15-8-16(13-24)10-17(9-15)14-24/h1-7,11,15-17H,8-10,12-14H2,(H,29,32)