N-[[3,5-bis(fluoranyl)-1-adamantyl]methyl]-5-[3,5-bis(oxidanylidene)-1,2,4-triazin-2-yl]-2-chloranyl-benzamide

Systemtic Name: N-[[3,5-bis(fluoranyl)-1-adamantyl]methyl]-5-[3,5-bis(oxidanylidene)-1,2,4-triazin-2-yl]-2-chloranyl-benzamide Openeye Name: 2-chloro-N-[(3,5-difluoro-1-adamantyl)methyl]-5-(3,5-dioxo-1,2,4-triazin-2-yl)benzamide CAS Name: 2-chloro-N-[(3,5-difluoro-1-adamantyl)methyl]-5-(3,5-dioxo-1,2,4-triazin-2-yl)benzamide IUPAC Name: 2-chloro-N-[(3,5-difluoro-1-adamantyl)methyl]-5-(3,5-dioxo-1,2,4-triazin-2-yl)benzamide Traditional Name: 2-chloro-N-[(3,5-difluoro-1-adamantyl)methyl]-5-(3,5-diketo-1,2,4-triazin-2-yl)benzamide Formula: C21H21ClF2N4O3 MolecularWeight: 450.866246

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1(CC(C2)(C3)F)CNC(=O)C4=C(C=CC(=C4)N5C(=O)NC(=O)C=N5)Cl)F

Isomeric SMILES

C1C2CC3(CC1(CC(C2)(C3)F)CNC(=O)C4=C(C=CC(=C4)N5C(=O)NC(=O)C=N5)Cl)F

InChI

InChI=1S/C21H21ClF2N4O3/c22-15-2-1-13(28-18(31)27-16(29)7-26-28)3-14(15)17(30)25-11-19-4-12-5-20(23,8-19)10-21(24,6-12)9-19/h1-3,7,12H,4-6,8-11H2,(H,25,30)(H,27,29,31)