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

Systemtic Name: ethyl 7-oxidanylidene-3-[4-(phenylmethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 3-(4-benzylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 7-oxo-3-[4-(phenylmethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-benzylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 3-(4-benzylphenyl)-7-keto-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O3/c1-2-28-22(27)19-13-23-20-18(14-24-25(20)21(19)26)17-10-8-16(9-11-17)12-15-6-4-3-5-7-15/h3-11,13-14,24H,2,12H2,1H3