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

Systemtic Name: 5-[4-(1,3-benzodioxol-5-yl)phenyl]-6-cyclohexyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Openeye Name: 5-[4-(1,3-benzodioxol-5-yl)phenyl]-6-cyclohexyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid CAS Name: 5-[4-(1,3-benzodioxol-5-yl)phenyl]-6-cyclohexyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid IUPAC Name: 5-[4-(1,3-benzodioxol-5-yl)phenyl]-6-cyclohexyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Traditional Name: 5-[4-(1,3-benzodioxol-5-yl)phenyl]-6-cyclohexyl-7-keto-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Formula: C26H23N3O5 MolecularWeight: 457.47792

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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)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCC(CC1)C2=C(N=C3C=C(NN3C2=O)C(=O)O)C4=CC=C(C=C4)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H23N3O5/c30-25-23(16-4-2-1-3-5-16)24(27-22-13-19(26(31)32)28-29(22)25)17-8-6-15(7-9-17)18-10-11-20-21(12-18)34-14-33-20/h6-13,16,28H,1-5,14H2,(H,31,32)