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

Systemtic Name: 1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]propan-2-one Openeye Name: 1-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenoxy]propan-2-one CAS Name: 1-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenoxy]-2-propanone IUPAC Name: 1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]propan-2-one Traditional Name: 1-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenoxy]acetone Formula: C24H27N3O2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O2/c1-3-26-12-14-27(15-13-26)24-22-7-5-4-6-20(22)16-23(25-24)19-8-10-21(11-9-19)29-17-18(2)28/h4-11,16H,3,12-15,17H2,1-2H3