[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 2-(4-carbamoyl-1-oxo-phthalazin-2-yl)acetate CAS Name: 2-(4-carbamoyl-1-oxo-2-phthalazinyl)acetic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate Traditional Name: 2-(4-carbamoyl-1-keto-phthalazin-2-yl)acetic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N

InChI

InChI=1S/C18H22N4O5/c1-4-18(2,3)20-13(23)10-27-14(24)9-22-17(26)12-8-6-5-7-11(12)15(21-22)16(19)25/h5-8H,4,9-10H2,1-3H3,(H2,19,25)(H,20,23)