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

Systemtic Name: 5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-(3-oxidanylpropyl)benzenecarbonitrile Openeye Name: 5-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-2-(3-hydroxypropyl)benzonitrile CAS Name: 5-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-2-(3-hydroxypropyl)benzonitrile IUPAC Name: 5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-(3-hydroxypropyl)benzonitrile Traditional Name: 5-[1-(4-ethylpiperazino)-3-isoquinolyl]-2-(3-hydroxypropyl)benzonitrile Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O/c1-2-28-11-13-29(14-12-28)25-23-8-4-3-6-20(23)17-24(27-25)21-10-9-19(7-5-15-30)22(16-21)18-26/h3-4,6,8-10,16-17,30H,2,5,7,11-15H2,1H3