[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxylate

Systemtic Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxylate Openeye Name: [2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate CAS Name: 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylic acid [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate Traditional Name: 6-keto-1-phenyl-4,5-dihydropyridazine-3-carboxylic acid [2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl] ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)COC(=O)C1=NN(C(=O)CC1)C2=CC=CC=C2

Isomeric SMILES

CCC(CC)(C#C)NC(=O)COC(=O)C1=NN(C(=O)CC1)C2=CC=CC=C2

InChI

InChI=1S/C20H23N3O4/c1-4-20(5-2,6-3)21-17(24)14-27-19(26)16-12-13-18(25)23(22-16)15-10-8-7-9-11-15/h1,7-11H,5-6,12-14H2,2-3H3,(H,21,24)