ethyl 3-[2-(3-chlorophenyl)-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoate

Systemtic Name: ethyl 3-[2-(3-chlorophenyl)-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoate Openeye Name: ethyl 3-[2-(3-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoate CAS Name: 3-[2-(3-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(3-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoate Traditional Name: 3-[2-(3-chlorophenyl)-7-keto-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propionic acid ethyl ester Formula: C18H18ClN3O3 MolecularWeight: 359.80682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(N=C2C=C(NN2C1=O)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)CCC1=C(N=C2C=C(NN2C1=O)C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C18H18ClN3O3/c1-3-25-17(23)8-7-14-11(2)20-16-10-15(21-22(16)18(14)24)12-5-4-6-13(19)9-12/h4-6,9-10,21H,3,7-8H2,1-2H3