ethyl 2-(4-bromophenyl)-7-phenyl-pyrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-(4-bromophenyl)-7-phenyl-pyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 2-(4-bromophenyl)-7-phenyl-pyrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 2-(4-bromophenyl)-7-phenyl-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-bromophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 2-(4-bromophenyl)-7-phenyl-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H16BrN3O2 MolecularWeight: 422.27464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C(=CC(=N2)C3=CC=C(C=C3)Br)N=C1)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N2C(=CC(=N2)C3=CC=C(C=C3)Br)N=C1)C4=CC=CC=C4

InChI

InChI=1S/C21H16BrN3O2/c1-2-27-21(26)17-13-23-19-12-18(14-8-10-16(22)11-9-14)24-25(19)20(17)15-6-4-3-5-7-15/h3-13H,2H2,1H3