4-azido-N-(4-bromanyl-2-fluoranyl-phenyl)-5-cyano-2-(4-methoxyphenyl)pyrazole-3-carboxamide

Systemtic Name: 4-azido-N-(4-bromanyl-2-fluoranyl-phenyl)-5-cyano-2-(4-methoxyphenyl)pyrazole-3-carboxamide Openeye Name: 4-azido-N-(4-bromo-2-fluoro-phenyl)-5-cyano-2-(4-methoxyphenyl)pyrazole-3-carboxamide CAS Name: 4-azido-N-(4-bromo-2-fluorophenyl)-5-cyano-2-(4-methoxyphenyl)-3-pyrazolecarboxamide IUPAC Name: 4-azido-N-(4-bromo-2-fluorophenyl)-5-cyano-2-(4-methoxyphenyl)pyrazole-3-carboxamide Traditional Name: 4-azido-N-(4-bromo-2-fluoro-phenyl)-5-cyano-2-(4-methoxyphenyl)pyrazole-3-carboxamide Formula: C18H11BrFN7O2 MolecularWeight: 456.228043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=C(C(=N2)C#N)N=[N+]=[N-])C(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=C(C(=N2)C#N)N=[N+]=[N-])C(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H11BrFN7O2/c1-29-12-5-3-11(4-6-12)27-17(16(24-26-22)15(9-21)25-27)18(28)23-14-7-2-10(19)8-13(14)20/h2-8H,1H3,(H,23,28)