1-(4-bromophenyl)-5-methyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrazole-4-carboxamide

Systemtic Name: 1-(4-bromophenyl)-5-methyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrazole-4-carboxamide Openeye Name: 1-(4-bromophenyl)-5-methyl-N-[3-[2-(2-pyridyl)ethynyl]phenyl]pyrazole-4-carboxamide CAS Name: 1-(4-bromophenyl)-5-methyl-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-4-pyrazolecarboxamide IUPAC Name: 1-(4-bromophenyl)-5-methyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrazole-4-carboxamide Traditional Name: 1-(4-bromophenyl)-5-methyl-N-[3-[2-(2-pyridyl)ethynyl]phenyl]pyrazole-4-carboxamide Formula: C24H17BrN4O MolecularWeight: 457.32198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

InChI

InChI=1S/C24H17BrN4O/c1-17-23(16-27-29(17)22-12-9-19(25)10-13-22)24(30)28-21-7-4-5-18(15-21)8-11-20-6-2-3-14-26-20/h2-7,9-10,12-16H,1H3,(H,28,30)