1-butyl-5-chloranyl-3-methyl-N-[3-(2-phenylethynyl)phenyl]pyrazole-4-carboxamide

Systemtic Name: 1-butyl-5-chloranyl-3-methyl-N-[3-(2-phenylethynyl)phenyl]pyrazole-4-carboxamide Openeye Name: 1-butyl-5-chloro-3-methyl-N-[3-(2-phenylethynyl)phenyl]pyrazole-4-carboxamide CAS Name: 1-butyl-5-chloro-3-methyl-N-[3-(2-phenylethynyl)phenyl]-4-pyrazolecarboxamide IUPAC Name: 1-butyl-5-chloro-3-methyl-N-[3-(2-phenylethynyl)phenyl]pyrazole-4-carboxamide Traditional Name: 1-butyl-5-chloro-3-methyl-N-[3-(2-phenylethynyl)phenyl]pyrazole-4-carboxamide Formula: C23H22ClN3O MolecularWeight: 391.89328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=C3)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=C3)Cl

InChI

InChI=1S/C23H22ClN3O/c1-3-4-15-27-22(24)21(17(2)26-27)23(28)25-20-12-8-11-19(16-20)14-13-18-9-6-5-7-10-18/h5-12,16H,3-4,15H2,1-2H3,(H,25,28)