1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propan-2-one dihydrochloride

Systemtic Name: 1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propan-2-one dihydrochloride Openeye Name: 1-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]propan-2-one dihydrochloride CAS Name: 1-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]-2-propanone dihydrochloride IUPAC Name: 1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propan-2-one dihydrochloride Traditional Name: 1-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]acetone dihydrochloride Formula: C24H29Cl2N3O MolecularWeight: 446.41256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O.2ClH/c1-3-26-12-14-27(15-13-26)24-22-7-5-4-6-21(22)17-23(25-24)20-10-8-19(9-11-20)16-18(2)28;;/h4-11,17H,3,12-16H2,1-2H3;2*1H