ethyl 3-[4-(1,3-benzodioxol-5-ylmethyl)phenyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 3-[4-(1,3-benzodioxol-5-ylmethyl)phenyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[4-(1,3-benzodioxol-5-ylmethyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(1,3-benzodioxol-5-ylmethyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-keto-3-(4-piperonylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=CNN2C1=O)C3=CC=C(C=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=CNN2C1=O)C3=CC=C(C=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H19N3O5/c1-2-29-23(28)18-11-24-21-17(12-25-26(21)22(18)27)16-6-3-14(4-7-16)9-15-5-8-19-20(10-15)31-13-30-19/h3-8,10-12,25H,2,9,13H2,1H3