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

Systemtic Name: [2-(octan-2-ylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-(1-methylheptylamino)-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-(octan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(octan-2-ylamino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-keto-2-(1-methylheptylamino)ethyl] ester Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)COC(=O)C1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CCCCCCC(C)NC(=O)COC(=O)C1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C19H25N3O4/c1-3-4-5-6-9-13(2)20-16(23)12-26-19(25)17-14-10-7-8-11-15(14)18(24)22-21-17/h7-8,10-11,13H,3-6,9,12H2,1-2H3,(H,20,23)(H,22,24)