N-[1-(1-adamantyl)ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[1-(1-adamantyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[1-(1-adamantyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[1-(1-adamantyl)ethyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C21H25N3O2/c1-12(21-9-13-6-14(10-21)8-15(7-13)11-21)22-20(26)18-16-4-2-3-5-17(16)19(25)24-23-18/h2-5,12-15H,6-11H2,1H3,(H,22,26)(H,24,25)