1-[[4-(5-methylhex-1-ynyl)phenyl]methyl]isoquinoline

Systemtic Name: 1-[[4-(5-methylhex-1-ynyl)phenyl]methyl]isoquinoline Openeye Name: 1-[[4-(5-methylhex-1-ynyl)phenyl]methyl]isoquinoline CAS Name: 1-[[4-(5-methylhex-1-ynyl)phenyl]methyl]isoquinoline IUPAC Name: 1-[[4-(5-methylhex-1-ynyl)phenyl]methyl]isoquinoline Traditional Name: 1-[4-(5-methylhex-1-ynyl)benzyl]isoquinoline Formula: C23H23N MolecularWeight: 313.43542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N/c1-18(2)7-3-4-8-19-11-13-20(14-12-19)17-23-22-10-6-5-9-21(22)15-16-24-23/h5-6,9-16,18H,3,7,17H2,1-2H3