1-butyl-5-chloranyl-N-(3-ethynylphenyl)-3-methyl-pyrazole-4-carboxamide

Systemtic Name: 1-butyl-5-chloranyl-N-(3-ethynylphenyl)-3-methyl-pyrazole-4-carboxamide Openeye Name: 1-butyl-5-chloro-N-(3-ethynylphenyl)-3-methyl-pyrazole-4-carboxamide CAS Name: 1-butyl-5-chloro-N-(3-ethynylphenyl)-3-methyl-4-pyrazolecarboxamide IUPAC Name: 1-butyl-5-chloro-N-(3-ethynylphenyl)-3-methylpyrazole-4-carboxamide Traditional Name: 1-butyl-5-chloro-N-(3-ethynylphenyl)-3-methyl-pyrazole-4-carboxamide Formula: C17H18ClN3O MolecularWeight: 315.79732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O/c1-4-6-10-21-16(18)15(12(3)20-21)17(22)19-14-9-7-8-13(5-2)11-14/h2,7-9,11H,4,6,10H2,1,3H3,(H,19,22)