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

Systemtic Name: 3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propan-1-ol dihydrochloride Openeye Name: 3-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]propan-1-ol dihydrochloride CAS Name: 3-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]-1-propanol dihydrochloride IUPAC Name: 3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propan-1-ol dihydrochloride Traditional Name: 3-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]propan-1-ol dihydrochloride Formula: C24H31Cl2N3O MolecularWeight: 448.42844

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)CCCO.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)CCCO.Cl.Cl

InChI

InChI=1S/C24H29N3O.2ClH/c1-2-26-13-15-27(16-14-26)24-22-8-4-3-7-21(22)18-23(25-24)20-11-9-19(10-12-20)6-5-17-28;;/h3-4,7-12,18,28H,2,5-6,13-17H2,1H3;2*1H