N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]but-2-ynamide

Systemtic Name: N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]but-2-ynamide Openeye Name: N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]but-2-ynamide CAS Name: N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-butynamide IUPAC Name: N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]but-2-ynamide Traditional Name: N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]but-2-ynamide Formula: C14H12ClN3O MolecularWeight: 273.71758

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)NCC1=C(NN=C1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC#CC(=O)NCC1=C(NN=C1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H12ClN3O/c1-2-3-13(19)16-8-11-9-17-18-14(11)10-4-6-12(15)7-5-10/h4-7,9H,8H2,1H3,(H,16,19)(H,17,18)