[2-(2-adamantylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-(2-adamantylamino)-2-keto-ethyl] ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C21H23N3O4/c25-17(22-18-13-6-11-5-12(8-13)9-14(18)7-11)10-28-21(27)19-15-3-1-2-4-16(15)20(26)24-23-19/h1-4,11-14,18H,5-10H2,(H,22,25)(H,24,26)