5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-(1-hydroxyethyloxy)benzenecarbonitrile

Systemtic Name: 5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-(1-hydroxyethyloxy)benzenecarbonitrile Openeye Name: 5-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-2-(1-hydroxyethoxy)benzonitrile CAS Name: 5-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-2-(1-hydroxyethoxy)benzonitrile IUPAC Name: 5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-(1-hydroxyethoxy)benzonitrile Traditional Name: 5-[1-(4-ethylpiperazino)-3-isoquinolyl]-2-(1-hydroxyethoxy)benzonitrile Formula: C24H26N4O2 MolecularWeight: 402.48884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=C(C=C4)OC(C)O)C#N

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=C(C=C4)OC(C)O)C#N

InChI

InChI=1S/C24H26N4O2/c1-3-27-10-12-28(13-11-27)24-21-7-5-4-6-18(21)15-22(26-24)19-8-9-23(30-17(2)29)20(14-19)16-25/h4-9,14-15,17,29H,3,10-13H2,1-2H3