5-hept-1-ynyl-1-methyl-3-phenyl-pyrazole

Systemtic Name: 5-hept-1-ynyl-1-methyl-3-phenyl-pyrazole Openeye Name: 5-hept-1-ynyl-1-methyl-3-phenyl-pyrazole CAS Name: 5-hept-1-ynyl-1-methyl-3-phenylpyrazole IUPAC Name: 5-hept-1-ynyl-1-methyl-3-phenylpyrazole Traditional Name: 5-hept-1-ynyl-1-methyl-3-phenyl-pyrazole Formula: C17H20N2 MolecularWeight: 252.3541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC1=CC(=NN1C)C2=CC=CC=C2

Isomeric SMILES

CCCCCC#CC1=CC(=NN1C)C2=CC=CC=C2

InChI

InChI=1S/C17H20N2/c1-3-4-5-6-10-13-16-14-17(18-19(16)2)15-11-8-7-9-12-15/h7-9,11-12,14H,3-6H2,1-2H3