2-[2-[2-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]ethynyl]pyridin-3-yl]oxyethanol

Systemtic Name: 2-[2-[2-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]ethynyl]pyridin-3-yl]oxyethanol Openeye Name: 2-[[2-[2-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]ethynyl]-3-pyridyl]oxy]ethanol CAS Name: 2-[[2-[2-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]ethynyl]-3-pyridinyl]oxy]ethanol IUPAC Name: 2-[2-[2-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]ethynyl]pyridin-3-yl]oxyethanol Traditional Name: 2-[[2-[2-[1-(4-ethylpiperazino)-3-isoquinolyl]ethynyl]-3-pyridyl]oxy]ethanol Formula: C24H26N4O2 MolecularWeight: 402.48884

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C#CC4=C(C=CC=N4)OCCO

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C#CC4=C(C=CC=N4)OCCO

InChI

InChI=1S/C24H26N4O2/c1-2-27-12-14-28(15-13-27)24-21-7-4-3-6-19(21)18-20(26-24)9-10-22-23(30-17-16-29)8-5-11-25-22/h3-8,11,18,29H,2,12-17H2,1H3