N-(1-adamantyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-(1-adamantyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide Openeye Name: N-(1-adamantyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide CAS Name: N-(1-adamantyl)-4-[[3-(trifluoromethyl)-1-pyrazolyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-(1-adamantyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide Traditional Name: N-(1-adamantyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide Formula: C20H22F3N3OS MolecularWeight: 409.46839

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC(=CS4)CN5C=CC(=N5)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC(=CS4)CN5C=CC(=N5)C(F)(F)F

InChI

InChI=1S/C20H22F3N3OS/c21-20(22,23)17-1-2-26(25-17)10-15-6-16(28-11-15)18(27)24-19-7-12-3-13(8-19)5-14(4-12)9-19/h1-2,6,11-14H,3-5,7-10H2,(H,24,27)