4-[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-methoxy-phenyl]butan-1-ol

Systemtic Name: 4-[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-methoxy-phenyl]butan-1-ol Openeye Name: 4-[5-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-2-methoxy-phenyl]butan-1-ol CAS Name: 4-[5-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-2-methoxyphenyl]-1-butanol IUPAC Name: 4-[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-methoxyphenyl]butan-1-ol Traditional Name: 4-[5-[1-(4-ethylpiperazino)-3-isoquinolyl]-2-methoxy-phenyl]butan-1-ol Formula: C26H33N3O2 MolecularWeight: 419.55912

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)OC)CCCCO

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O2/c1-3-28-13-15-29(16-14-28)26-23-10-5-4-8-20(23)19-24(27-26)21-11-12-25(31-2)22(18-21)9-6-7-17-30/h4-5,8,10-12,18-19,30H,3,6-7,9,13-17H2,1-2H3