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

Systemtic Name: 1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]-2-methyl-propan-2-ol Openeye Name: 1-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenoxy]-2-methyl-propan-2-ol CAS Name: 1-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenoxy]-2-methyl-2-propanol IUPAC Name: 1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]-2-methylpropan-2-ol Traditional Name: 1-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenoxy]-2-methyl-propan-2-ol Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O2/c1-4-27-13-15-28(16-14-27)24-22-8-6-5-7-20(22)17-23(26-24)19-9-11-21(12-10-19)30-18-25(2,3)29/h5-12,17,29H,4,13-16,18H2,1-3H3