3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]-3-methyl-butan-1-ol

Systemtic Name: 3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]-3-methyl-butan-1-ol Openeye Name: 3-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]-3-methyl-butan-1-ol CAS Name: 3-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]-3-methyl-1-butanol IUPAC Name: 3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]-3-methylbutan-1-ol Traditional Name: 3-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]-3-methyl-butan-1-ol Formula: C26H33N3O MolecularWeight: 403.55972

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)C(C)(C)CCO

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O/c1-4-28-14-16-29(17-15-28)25-23-8-6-5-7-21(23)19-24(27-25)20-9-11-22(12-10-20)26(2,3)13-18-30/h5-12,19,30H,4,13-18H2,1-3H3