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

Systemtic Name: 4-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]butan-1-ol Openeye Name: 4-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]butan-1-ol CAS Name: 4-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]-1-butanol IUPAC Name: 4-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]butan-1-ol Traditional Name: 4-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]butan-1-ol Formula: C25H31N3O MolecularWeight: 389.53314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O/c1-2-27-14-16-28(17-15-27)25-23-9-4-3-8-22(23)19-24(26-25)21-12-10-20(11-13-21)7-5-6-18-29/h3-4,8-13,19,29H,2,5-7,14-18H2,1H3