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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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