2-[1-(5-oxidanylidene-3-phenyl-2H-1,2,4-triazin-6-yl)propyl]adamantane-1-carboxamide

Systemtic Name: 2-[1-(5-oxidanylidene-3-phenyl-2H-1,2,4-triazin-6-yl)propyl]adamantane-1-carboxamide Openeye Name: 2-[1-(5-oxo-3-phenyl-2H-1,2,4-triazin-6-yl)propyl]adamantane-1-carboxamide CAS Name: 2-[1-(5-oxo-3-phenyl-2H-1,2,4-triazin-6-yl)propyl]-1-adamantanecarboxamide IUPAC Name: 2-[1-(5-oxo-3-phenyl-2H-1,2,4-triazin-6-yl)propyl]adamantane-1-carboxamide Traditional Name: 2-[1-(5-keto-3-phenyl-2H-1,2,4-triazin-6-yl)propyl]adamantane-1-carboxamide Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C2CC3CC(C2)CC1(C3)C(=O)N)C4=NNC(=NC4=O)C5=CC=CC=C5

Isomeric SMILES

CCC(C1C2CC3CC(C2)CC1(C3)C(=O)N)C4=NNC(=NC4=O)C5=CC=CC=C5

InChI

InChI=1S/C23H28N4O2/c1-2-17(19-21(28)25-20(27-26-19)15-6-4-3-5-7-15)18-16-9-13-8-14(10-16)12-23(18,11-13)22(24)29/h3-7,13-14,16-18H,2,8-12H2,1H3,(H2,24,29)(H,25,27,28)