2-[[1-(4-ethylpiperazin-1-yl)-3-(2-phenylethynyl)-1H-isoquinolin-2-yl]oxy]ethanol

Systemtic Name: 2-[[1-(4-ethylpiperazin-1-yl)-3-(2-phenylethynyl)-1H-isoquinolin-2-yl]oxy]ethanol Openeye Name: 2-[[1-(4-ethylpiperazin-1-yl)-3-(2-phenylethynyl)-1H-isoquinolin-2-yl]oxy]ethanol CAS Name: 2-[[1-(4-ethyl-1-piperazinyl)-3-(2-phenylethynyl)-1H-isoquinolin-2-yl]oxy]ethanol IUPAC Name: 2-[[1-(4-ethylpiperazin-1-yl)-3-(2-phenylethynyl)-1H-isoquinolin-2-yl]oxy]ethanol Traditional Name: 2-[[1-(4-ethylpiperazino)-3-(2-phenylethynyl)-1H-isoquinolin-2-yl]oxy]ethanol Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2C3=CC=CC=C3C=C(N2OCCO)C#CC4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)C2C3=CC=CC=C3C=C(N2OCCO)C#CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2/c1-2-26-14-16-27(17-15-26)25-24-11-7-6-10-22(24)20-23(28(25)30-19-18-29)13-12-21-8-4-3-5-9-21/h3-11,20,25,29H,2,14-19H2,1H3