3-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4/c1-4-18(5-2,6-3)19-14(22)11-21-16(23)13-10-8-7-9-12(13)15(20-21)17(24)25/h1,7-10H,5-6,11H2,2-3H3,(H,19,22)(H,24,25)