N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-7-methyl-5-phenyl-pyrazolo[1,5-a]pyrimidine-2-carboxamide

Systemtic Name: N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-7-methyl-5-phenyl-pyrazolo[1,5-a]pyrimidine-2-carboxamide Openeye Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-7-methyl-5-phenyl-pyrazolo[1,5-a]pyrimidine-2-carboxamide CAS Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-7-methyl-5-phenyl-2-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide Traditional Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-7-methyl-5-phenyl-pyrazolo[1,5-a]pyrimidine-2-carboxamide Formula: C27H20ClN5O4 MolecularWeight: 513.9318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC(=NN12)C(=O)NC3=CC(=CC(=C3)OC4=CC(=C(C=C4)Cl)C)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC2=CC(=NN12)C(=O)NC3=CC(=CC(=C3)OC4=CC(=C(C=C4)Cl)C)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C27H20ClN5O4/c1-16-10-21(8-9-23(16)28)37-22-13-19(12-20(14-22)33(35)36)29-27(34)25-15-26-30-24(11-17(2)32(26)31-25)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,29,34)