ethyl 2-[2-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]ethanoate

Systemtic Name: ethyl 2-[2-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]ethanoate Openeye Name: ethyl 2-[2-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenoxy]acetate CAS Name: 2-[2-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]acetate Traditional Name: 2-[2-[1-(4-ethylpiperazino)-3-isoquinolyl]phenoxy]acetic acid ethyl ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=CC=C4OCC(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=CC=C4OCC(=O)OCC

InChI

InChI=1S/C25H29N3O3/c1-3-27-13-15-28(16-14-27)25-20-10-6-5-9-19(20)17-22(26-25)21-11-7-8-12-23(21)31-18-24(29)30-4-2/h5-12,17H,3-4,13-16,18H2,1-2H3