4-(but-2-ynoxymethyl)-1-phenyl-pyrazole

Systemtic Name: 4-(but-2-ynoxymethyl)-1-phenyl-pyrazole Openeye Name: 4-(but-2-ynoxymethyl)-1-phenyl-pyrazole CAS Name: 4-(but-2-ynoxymethyl)-1-phenylpyrazole IUPAC Name: 4-(but-2-ynoxymethyl)-1-phenylpyrazole Traditional Name: 4-(but-2-ynoxymethyl)-1-phenyl-pyrazole Formula: C14H14N2O MolecularWeight: 226.27376

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOCC1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CC#CCOCC1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C14H14N2O/c1-2-3-9-17-12-13-10-15-16(11-13)14-7-5-4-6-8-14/h4-8,10-11H,9,12H2,1H3