5-(2-bromanyl-5-methoxy-phenyl)-7-oxidanylidene-N-(phenylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: 5-(2-bromanyl-5-methoxy-phenyl)-7-oxidanylidene-N-(phenylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: N-benzyl-5-(2-bromo-5-methoxy-phenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: 5-(2-bromo-5-methoxyphenyl)-7-oxo-N-(phenylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide IUPAC Name: N-benzyl-5-(2-bromo-5-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: N-benzyl-5-(2-bromo-5-methoxy-phenyl)-7-keto-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C21H17BrN4O3 MolecularWeight: 453.28868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C2=CC(=O)N3C(=N2)C(=CN3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C2=CC(=O)N3C(=N2)C(=CN3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C21H17BrN4O3/c1-29-14-7-8-17(22)15(9-14)18-10-19(27)26-20(25-18)16(12-24-26)21(28)23-11-13-5-3-2-4-6-13/h2-10,12,24H,11H2,1H3,(H,23,28)