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

Systemtic Name: 4-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]-2-methyl-butan-2-ol Openeye Name: 4-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]-2-methyl-butan-2-ol CAS Name: 4-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]-2-methyl-2-butanol IUPAC Name: 4-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]-2-methylbutan-2-ol Traditional Name: 4-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]-2-methyl-butan-2-ol Formula: C26H33N3O MolecularWeight: 403.55972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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