5-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methyl]-1H-imidazole

Systemtic Name: 5-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methyl]-1H-imidazole Openeye Name: 5-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methyl]-1H-imidazole CAS Name: 5-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methyl]-1H-imidazole IUPAC Name: 5-[[3-(3,3-dimethylbut-1-ynyl)phenyl]methyl]-1H-imidazole Traditional Name: 5-[3-(3,3-dimethylbut-1-ynyl)benzyl]-1H-imidazole Formula: C16H18N2 MolecularWeight: 238.32752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=CC(=CC=C1)CC2=CN=CN2

Isomeric SMILES

CC(C)(C)C#CC1=CC(=CC=C1)CC2=CN=CN2

InChI

InChI=1S/C16H18N2/c1-16(2,3)8-7-13-5-4-6-14(9-13)10-15-11-17-12-18-15/h4-6,9,11-12H,10H2,1-3H3,(H,17,18)