[2-(butylamino)-2-oxidanylidene-ethyl] 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 2-(3-methyl-4-oxo-phthalazin-1-yl)acetate CAS Name: 2-(3-methyl-4-oxo-1-phthalazinyl)acetic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3-methyl-phthalazin-1-yl)acetic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)CC1=NN(C(=O)C2=CC=CC=C21)C

Isomeric SMILES

CCCCNC(=O)COC(=O)CC1=NN(C(=O)C2=CC=CC=C21)C

InChI

InChI=1S/C17H21N3O4/c1-3-4-9-18-15(21)11-24-16(22)10-14-12-7-5-6-8-13(12)17(23)20(2)19-14/h5-8H,3-4,9-11H2,1-2H3,(H,18,21)