1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propane-1,3-diol

Systemtic Name: 1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propane-1,3-diol Openeye Name: 1-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]propane-1,3-diol CAS Name: 1-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]propane-1,3-diol IUPAC Name: 1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propane-1,3-diol Traditional Name: 1-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]propane-1,3-diol Formula: C24H29N3O2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O2/c1-2-26-12-14-27(15-13-26)24-21-6-4-3-5-20(21)17-22(25-24)18-7-9-19(10-8-18)23(29)11-16-28/h3-10,17,23,28-29H,2,11-16H2,1H3