1-[[4-(4-phenylbut-1-ynyl)phenyl]methyl]isoquinoline

Systemtic Name: 1-[[4-(4-phenylbut-1-ynyl)phenyl]methyl]isoquinoline Openeye Name: 1-[[4-(4-phenylbut-1-ynyl)phenyl]methyl]isoquinoline CAS Name: 1-[[4-(4-phenylbut-1-ynyl)phenyl]methyl]isoquinoline IUPAC Name: 1-[[4-(4-phenylbut-1-ynyl)phenyl]methyl]isoquinoline Traditional Name: 1-[4-(4-phenylbut-1-ynyl)benzyl]isoquinoline Formula: C26H21N MolecularWeight: 347.45164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC#CC2=CC=C(C=C2)CC3=NC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)CCC#CC2=CC=C(C=C2)CC3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C26H21N/c1-2-8-21(9-3-1)10-4-5-11-22-14-16-23(17-15-22)20-26-25-13-7-6-12-24(25)18-19-27-26/h1-3,6-9,12-19H,4,10,20H2