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

Systemtic Name: N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C22H18ClN5O4 MolecularWeight: 451.86242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN5O4/c1-12-6-17(4-5-20(12)23)32-18-9-15(8-16(10-18)28(30)31)26-22(29)19-11-24-27-14(3)7-13(2)25-21(19)27/h4-11H,1-3H3,(H,26,29)