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

Systemtic Name: 5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-(2-phenylmethoxyethoxy)benzenecarbonitrile Openeye Name: 2-(2-benzyloxyethoxy)-5-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]benzonitrile CAS Name: 5-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-2-(2-phenylmethoxyethoxy)benzonitrile IUPAC Name: 5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-(2-phenylmethoxyethoxy)benzonitrile Traditional Name: 2-(2-benzoxyethoxy)-5-[1-(4-ethylpiperazino)-3-isoquinolyl]benzonitrile Formula: C31H32N4O2 MolecularWeight: 492.61138

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=C(C=C4)OCCOCC5=CC=CC=C5)C#N

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=C(C=C4)OCCOCC5=CC=CC=C5)C#N

InChI

InChI=1S/C31H32N4O2/c1-2-34-14-16-35(17-15-34)31-28-11-7-6-10-25(28)21-29(33-31)26-12-13-30(27(20-26)22-32)37-19-18-36-23-24-8-4-3-5-9-24/h3-13,20-21H,2,14-19,23H2,1H3