[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate

Systemtic Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate Openeye Name: [2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl] 2-(4-carbamoyl-1-oxo-phthalazin-2-yl)acetate CAS Name: 2-(4-carbamoyl-1-oxo-2-phthalazinyl)acetic acid [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate Traditional Name: 2-(4-carbamoyl-1-keto-phthalazin-2-yl)acetic acid [2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl] ester Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5/c1-4-20(5-2,6-3)22-15(25)12-29-16(26)11-24-19(28)14-10-8-7-9-13(14)17(23-24)18(21)27/h1,7-10H,5-6,11-12H2,2-3H3,(H2,21,27)(H,22,25)