[2-(hexylamino)-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [2-(hexylamino)-2-oxo-ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [2-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [2-(hexylamino)-2-keto-ethyl] ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)COC(=O)CC1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CCCCCCNC(=O)COC(=O)CC1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C18H23N3O4/c1-2-3-4-7-10-19-16(22)12-25-17(23)11-15-13-8-5-6-9-14(13)18(24)21-20-15/h5-6,8-9H,2-4,7,10-12H2,1H3,(H,19,22)(H,21,24)