methyl 5-(1,3-benzodioxol-5-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate

Systemtic Name: methyl 5-(1,3-benzodioxol-5-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate Openeye Name: methyl 5-(1,3-benzodioxol-5-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate CAS Name: 5-(1,3-benzodioxol-5-yl)-3-phenyl-7-pyrazolo[1,5-a]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzodioxol-5-yl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid methyl ester Formula: C21H15N3O4 MolecularWeight: 373.3615

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NC2=C(C=NN12)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=CC(=NC2=C(C=NN12)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H15N3O4/c1-26-21(25)17-10-16(14-7-8-18-19(9-14)28-12-27-18)23-20-15(11-22-24(17)20)13-5-3-2-4-6-13/h2-11H,12H2,1H3