ethyl 2-[3-(4-chlorophenyl)-2-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethanoate

Systemtic Name: ethyl 2-[3-(4-chlorophenyl)-2-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethanoate Openeye Name: ethyl 2-[3-(4-chlorophenyl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate CAS Name: 2-[3-(4-chlorophenyl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-chlorophenyl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate Traditional Name: 2-[3-(4-chlorophenyl)-7-keto-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid ethyl ester Formula: C17H16ClN3O3 MolecularWeight: 345.78024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC(=O)N2C(=N1)C(=C(N2)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)CC1=CC(=O)N2C(=N1)C(=C(N2)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H16ClN3O3/c1-3-24-15(23)9-13-8-14(22)21-17(19-13)16(10(2)20-21)11-4-6-12(18)7-5-11/h4-8,20H,3,9H2,1-2H3