5-[4-(3-chloranylphenoxy)phenyl]-6-cyclohexyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Systemtic Name: 5-[4-(3-chloranylphenoxy)phenyl]-6-cyclohexyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Openeye Name: 5-[4-(3-chlorophenoxy)phenyl]-6-cyclohexyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid CAS Name: 5-[4-(3-chlorophenoxy)phenyl]-6-cyclohexyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid IUPAC Name: 5-[4-(3-chlorophenoxy)phenyl]-6-cyclohexyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Traditional Name: 5-[4-(3-chlorophenoxy)phenyl]-6-cyclohexyl-7-keto-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Formula: C25H22ClN3O4 MolecularWeight: 463.91288

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N=C3C=C(NN3C2=O)C(=O)O)C4=CC=C(C=C4)OC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCC(CC1)C2=C(N=C3C=C(NN3C2=O)C(=O)O)C4=CC=C(C=C4)OC5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H22ClN3O4/c26-17-7-4-8-19(13-17)33-18-11-9-16(10-12-18)23-22(15-5-2-1-3-6-15)24(30)29-21(27-23)14-20(28-29)25(31)32/h4,7-15,28H,1-3,5-6H2,(H,31,32)