1-[[4-(3-methylbut-1-ynyl)phenyl]methyl]isoquinoline

Systemtic Name: 1-[[4-(3-methylbut-1-ynyl)phenyl]methyl]isoquinoline Openeye Name: 1-[[4-(3-methylbut-1-ynyl)phenyl]methyl]isoquinoline CAS Name: 1-[[4-(3-methylbut-1-ynyl)phenyl]methyl]isoquinoline IUPAC Name: 1-[[4-(3-methylbut-1-ynyl)phenyl]methyl]isoquinoline Traditional Name: 1-[4-(3-methylbut-1-ynyl)benzyl]isoquinoline Formula: C21H19N MolecularWeight: 285.38226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C#CC1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)C#CC1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C21H19N/c1-16(2)7-8-17-9-11-18(12-10-17)15-21-20-6-4-3-5-19(20)13-14-22-21/h3-6,9-14,16H,15H2,1-2H3