N-(1-adamantylmethyl)-5-[3,5-bis(oxidanylidene)-2H-1,2,4-triazin-4-yl]-2-chloranyl-benzamide

Systemtic Name: N-(1-adamantylmethyl)-5-[3,5-bis(oxidanylidene)-2H-1,2,4-triazin-4-yl]-2-chloranyl-benzamide Openeye Name: N-(1-adamantylmethyl)-2-chloro-5-(3,5-dioxo-2H-1,2,4-triazin-4-yl)benzamide CAS Name: N-(1-adamantylmethyl)-2-chloro-5-(3,5-dioxo-2H-1,2,4-triazin-4-yl)benzamide IUPAC Name: N-(1-adamantylmethyl)-2-chloro-5-(3,5-dioxo-2H-1,2,4-triazin-4-yl)benzamide Traditional Name: N-(1-adamantylmethyl)-2-chloro-5-(3,5-diketo-2H-1,2,4-triazin-4-yl)benzamide Formula: C21H23ClN4O3 MolecularWeight: 414.88532

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)N5C(=O)C=NNC5=O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)N5C(=O)C=NNC5=O)Cl

InChI

InChI=1S/C21H23ClN4O3/c22-17-2-1-15(26-18(27)10-24-25-20(26)29)6-16(17)19(28)23-11-21-7-12-3-13(8-21)5-14(4-12)9-21/h1-2,6,10,12-14H,3-5,7-9,11H2,(H,23,28)(H,25,29)