6-[4-(3-chlorophenyl)phenyl]-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Systemtic Name: 6-[4-(3-chlorophenyl)phenyl]-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 6-[4-(3-chlorophenyl)phenyl]-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 6-[4-(3-chlorophenyl)phenyl]-7-cyclohexyl-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 6-[4-(3-chlorophenyl)phenyl]-7-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 6-[4-(3-chlorophenyl)phenyl]-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C25H22ClN3O2 MolecularWeight: 431.91408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)O)C4=CC=C(C=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)O)C4=CC=C(C=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H22ClN3O2/c26-20-8-4-7-19(13-20)16-9-11-17(12-10-16)21-14-27-24-22(25(30)31)15-28-29(24)23(21)18-5-2-1-3-6-18/h4,7-15,18H,1-3,5-6H2,(H,30,31)