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

Systemtic Name: 4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]benzenecarbonitrile Openeye Name: 4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]benzonitrile CAS Name: 4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]benzonitrile IUPAC Name: 4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]benzonitrile Traditional Name: 4-[1-(4-ethylpiperazino)-3-isoquinolyl]benzonitrile Formula: C22H22N4 MolecularWeight: 342.43688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4/c1-2-25-11-13-26(14-12-25)22-20-6-4-3-5-19(20)15-21(24-22)18-9-7-17(16-23)8-10-18/h3-10,15H,2,11-14H2,1H3