4-(3,3-dimethylbut-1-ynyl)-5-phenethyl-1H-pyrazole

Systemtic Name: 4-(3,3-dimethylbut-1-ynyl)-5-phenethyl-1H-pyrazole Openeye Name: 4-(3,3-dimethylbut-1-ynyl)-5-phenethyl-1H-pyrazole CAS Name: 4-(3,3-dimethylbut-1-ynyl)-5-phenethyl-1H-pyrazole IUPAC Name: 4-(3,3-dimethylbut-1-ynyl)-5-phenethyl-1H-pyrazole Traditional Name: 4-(3,3-dimethylbut-1-ynyl)-5-phenethyl-1H-pyrazole Formula: C17H20N2 MolecularWeight: 252.3541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=C(NN=C1)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C#CC1=C(NN=C1)CCC2=CC=CC=C2

InChI

InChI=1S/C17H20N2/c1-17(2,3)12-11-15-13-18-19-16(15)10-9-14-7-5-4-6-8-14/h4-8,13H,9-10H2,1-3H3,(H,18,19)