4-azanyl-N-(4-bromophenyl)-2-(3-cyano-4-fluoranyl-phenyl)-5-methyl-pyrazole-3-carboxamide

Systemtic Name: 4-azanyl-N-(4-bromophenyl)-2-(3-cyano-4-fluoranyl-phenyl)-5-methyl-pyrazole-3-carboxamide Openeye Name: 4-amino-N-(4-bromophenyl)-2-(3-cyano-4-fluoro-phenyl)-5-methyl-pyrazole-3-carboxamide CAS Name: 4-amino-N-(4-bromophenyl)-2-(3-cyano-4-fluorophenyl)-5-methyl-3-pyrazolecarboxamide IUPAC Name: 4-amino-N-(4-bromophenyl)-2-(3-cyano-4-fluorophenyl)-5-methylpyrazole-3-carboxamide Traditional Name: 4-amino-N-(4-bromophenyl)-2-(3-cyano-4-fluoro-phenyl)-5-methyl-pyrazole-3-carboxamide Formula: C18H13BrFN5O MolecularWeight: 414.231123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1N)C(=O)NC2=CC=C(C=C2)Br)C3=CC(=C(C=C3)F)C#N

Isomeric SMILES

CC1=NN(C(=C1N)C(=O)NC2=CC=C(C=C2)Br)C3=CC(=C(C=C3)F)C#N

InChI

InChI=1S/C18H13BrFN5O/c1-10-16(22)17(18(26)23-13-4-2-12(19)3-5-13)25(24-10)14-6-7-15(20)11(8-14)9-21/h2-8H,22H2,1H3,(H,23,26)