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

Systemtic Name: 4-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-fluoranyl-phenyl]-2-methyl-butan-2-ol hydrochloride Openeye Name: 4-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-2-fluoro-phenyl]-2-methyl-butan-2-ol hydrochloride CAS Name: 4-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-2-fluorophenyl]-2-methyl-2-butanol hydrochloride IUPAC Name: 4-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-fluorophenyl]-2-methylbutan-2-ol hydrochloride Traditional Name: 4-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]-2-fluoro-phenyl]-2-methyl-butan-2-ol hydrochloride Formula: C26H33ClFN3O MolecularWeight: 458.011123

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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)F.Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H32FN3O.ClH/c1-4-29-13-15-30(16-14-29)25-22-8-6-5-7-20(22)18-24(28-25)21-10-9-19(23(27)17-21)11-12-26(2,3)31;/h5-10,17-18,31H,4,11-16H2,1-3H3;1H