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

Systemtic Name: 7-cyclohexyl-6-[4-(3-methoxyphenyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 7-cyclohexyl-6-[4-(3-methoxyphenyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 7-cyclohexyl-6-[4-(3-methoxyphenyl)phenyl]-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 7-cyclohexyl-6-[4-(3-methoxyphenyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 7-cyclohexyl-6-[4-(3-methoxyphenyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC=C(C=C2)C3=C(N4C(=C(C=N4)C(=O)O)N=C3)C5CCCCC5

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC=C(C=C2)C3=C(N4C(=C(C=N4)C(=O)O)N=C3)C5CCCCC5

InChI

InChI=1S/C26H25N3O3/c1-32-21-9-5-8-20(14-21)17-10-12-18(13-11-17)22-15-27-25-23(26(30)31)16-28-29(25)24(22)19-6-3-2-4-7-19/h5,8-16,19H,2-4,6-7H2,1H3,(H,30,31)