5-[3-(4-chlorophenyl)-6-oxidanylidene-4,5-dihydropyridazin-1-yl]pent-3-yn-2-yl ethanoate

Systemtic Name: 5-[3-(4-chlorophenyl)-6-oxidanylidene-4,5-dihydropyridazin-1-yl]pent-3-yn-2-yl ethanoate Openeye Name: [4-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-1-methyl-but-2-ynyl] acetate CAS Name: acetic acid 5-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]pent-3-yn-2-yl ester IUPAC Name: 5-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]pent-3-yn-2-yl acetate Traditional Name: acetic acid [4-[3-(4-chlorophenyl)-6-keto-4,5-dihydropyridazin-1-yl]-1-methyl-but-2-ynyl] ester Formula: C17H17ClN2O3 MolecularWeight: 332.78148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CCN1C(=O)CCC(=N1)C2=CC=C(C=C2)Cl)OC(=O)C

Isomeric SMILES

CC(C#CCN1C(=O)CCC(=N1)C2=CC=C(C=C2)Cl)OC(=O)C

InChI

InChI=1S/C17H17ClN2O3/c1-12(23-13(2)21)4-3-11-20-17(22)10-9-16(19-20)14-5-7-15(18)8-6-14/h5-8,12H,9-11H2,1-2H3