N,N-diethyl-4-(2-isoquinolin-4-ylethynyl)aniline

Systemtic Name: N,N-diethyl-4-(2-isoquinolin-4-ylethynyl)aniline Openeye Name: N,N-diethyl-4-[2-(4-isoquinolyl)ethynyl]aniline CAS Name: N,N-diethyl-4-[2-(4-isoquinolinyl)ethynyl]aniline IUPAC Name: N,N-diethyl-4-(2-isoquinolin-4-ylethynyl)aniline Traditional Name: diethyl-[4-[2-(4-isoquinolyl)ethynyl]phenyl]amine Formula: C21H20N2 MolecularWeight: 300.3969

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C#CC2=CN=CC3=CC=CC=C32

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C#CC2=CN=CC3=CC=CC=C32

InChI

InChI=1S/C21H20N2/c1-3-23(4-2)20-13-10-17(11-14-20)9-12-19-16-22-15-18-7-5-6-8-21(18)19/h5-8,10-11,13-16H,3-4H2,1-2H3