ethyl 3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propanoate

Systemtic Name: ethyl 3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propanoate Openeye Name: ethyl 3-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]propanoate CAS Name: 3-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propanoate Traditional Name: 3-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]propionic acid ethyl ester Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O2/c1-3-28-15-17-29(18-16-28)26-23-8-6-5-7-22(23)19-24(27-26)21-12-9-20(10-13-21)11-14-25(30)31-4-2/h5-10,12-13,19H,3-4,11,14-18H2,1-2H3