2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]-N,N-dimethyl-ethanamine

Systemtic Name: 2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]-N,N-dimethyl-ethanamine Openeye Name: 2-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenoxy]-N,N-dimethyl-ethanamine CAS Name: 2-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenoxy]-N,N-dimethylethanamine IUPAC Name: 2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]-N,N-dimethylethanamine Traditional Name: 2-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenoxy]ethyl-dimethyl-amine Formula: C25H32N4O MolecularWeight: 404.54778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O/c1-4-28-13-15-29(16-14-28)25-23-8-6-5-7-21(23)19-24(26-25)20-9-11-22(12-10-20)30-18-17-27(2)3/h5-12,19H,4,13-18H2,1-3H3