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1-[2-(4-pentylphenyl)ethynyl]-2,3-diphenyl-1H-isoquinoline

1-[2-(4-pentylphenyl)ethynyl]-2,3-diphenyl-1H-isoquinoline

Systemtic Name:1-[2-(4-pentylphenyl)ethynyl]-2,3-diphenyl-1H-isoquinoline
Openeye Name:1-[2-(4-pentylphenyl)ethynyl]-2,3-diphenyl-1H-isoquinoline
CAS Name:1-[2-(4-pentylphenyl)ethynyl]-2,3-diphenyl-1H-isoquinoline
IUPAC Name:1-[2-(4-pentylphenyl)ethynyl]-2,3-diphenyl-1H-isoquinoline
Traditional Name:1-[2-(4-amylphenyl)ethynyl]-2,3-diphenyl-1H-isoquinoline
Formula: C34H31N
MolecularWeight: 453.61664
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C#CC2C3=CC=CC=C3C=C(N2C4=CC=CC=C4)C5=CC=CC=C5


Isomeric SMILES

CCCCCC1=CC=C(C=C1)C#CC2C3=CC=CC=C3C=C(N2C4=CC=CC=C4)C5=CC=CC=C5


InChI

InChI=1S/C34H31N/c1-2-3-6-13-27-20-22-28(23-21-27)24-25-33-32-19-12-11-16-30(32)26-34(29-14-7-4-8-15-29)35(33)31-17-9-5-10-18-31/h4-5,7-12,14-23,26,33H,2-3,6,13H2,1H3


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