(4-butoxyphenyl)-[4-(2-isoquinolin-6-ylethynyl)phenyl]diazene

Systemtic Name: (4-butoxyphenyl)-[4-(2-isoquinolin-6-ylethynyl)phenyl]diazene Openeye Name: (4-butoxyphenyl)-[4-[2-(6-isoquinolyl)ethynyl]phenyl]diazene CAS Name: (4-butoxyphenyl)-[4-[2-(6-isoquinolinyl)ethynyl]phenyl]diazene IUPAC Name: (4-butoxyphenyl)-[4-(2-isoquinolin-6-ylethynyl)phenyl]diazene Traditional Name: (4-butoxyphenyl)-[4-[2-(6-isoquinolyl)ethynyl]phenyl]diazene Formula: C27H23N3O MolecularWeight: 405.49102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C#CC3=CC4=C(C=C3)C=NC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C#CC3=CC4=C(C=C3)C=NC=C4

InChI

InChI=1S/C27H23N3O/c1-2-3-18-31-27-14-12-26(13-15-27)30-29-25-10-7-21(8-11-25)4-5-22-6-9-24-20-28-17-16-23(24)19-22/h6-17,19-20H,2-3,18H2,1H3