4-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]butanenitrile

Systemtic Name: 4-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]butanenitrile Openeye Name: 4-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenoxy]butanenitrile CAS Name: 4-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenoxy]butanenitrile IUPAC Name: 4-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]butanenitrile Traditional Name: 4-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenoxy]butyronitrile Formula: C25H28N4O MolecularWeight: 400.51602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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