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

Systemtic Name: 1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-fluoranyl-phenyl]propan-1-ol hydrochloride Openeye Name: 1-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-2-fluoro-phenyl]propan-1-ol hydrochloride CAS Name: 1-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-2-fluorophenyl]-1-propanol hydrochloride IUPAC Name: 1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-fluorophenyl]propan-1-ol hydrochloride Traditional Name: 1-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]-2-fluoro-phenyl]propan-1-ol hydrochloride Formula: C24H29ClFN3O MolecularWeight: 429.957963

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC)F)O.Cl

Isomeric SMILES

CCC(C1=C(C=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC)F)O.Cl

InChI

InChI=1S/C24H28FN3O.ClH/c1-3-23(29)20-10-9-18(15-21(20)25)22-16-17-7-5-6-8-19(17)24(26-22)28-13-11-27(4-2)12-14-28;/h5-10,15-16,23,29H,3-4,11-14H2,1-2H3;1H