N-(4-butoxyphenyl)-1-[4-(2-isoquinolin-6-ylethynyl)phenyl]methanimine

Systemtic Name: N-(4-butoxyphenyl)-1-[4-(2-isoquinolin-6-ylethynyl)phenyl]methanimine Openeye Name: N-(4-butoxyphenyl)-1-[4-[2-(6-isoquinolyl)ethynyl]phenyl]methanimine CAS Name: N-(4-butoxyphenyl)-1-[4-[2-(6-isoquinolinyl)ethynyl]phenyl]methanimine IUPAC Name: N-(4-butoxyphenyl)-1-[4-(2-isoquinolin-6-ylethynyl)phenyl]methanimine Traditional Name: (4-butoxyphenyl)-[4-[2-(6-isoquinolyl)ethynyl]benzylidene]amine Formula: C28H24N2O MolecularWeight: 404.50296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N=CC2=CC=C(C=C2)C#CC3=CC4=C(C=C3)C=NC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N=CC2=CC=C(C=C2)C#CC3=CC4=C(C=C3)C=NC=C4

InChI

InChI=1S/C28H24N2O/c1-2-3-18-31-28-14-12-27(13-15-28)30-20-24-8-5-22(6-9-24)4-7-23-10-11-26-21-29-17-16-25(26)19-23/h5-6,8-17,19-21H,2-3,18H2,1H3