2-[4-[3-chloranyl-1-(4-ethylpiperazin-1-yl)isoquinolin-4-yl]phenoxy]ethanol

Systemtic Name: 2-[4-[3-chloranyl-1-(4-ethylpiperazin-1-yl)isoquinolin-4-yl]phenoxy]ethanol Openeye Name: 2-[4-[3-chloro-1-(4-ethylpiperazin-1-yl)-4-isoquinolyl]phenoxy]ethanol CAS Name: 2-[4-[3-chloro-1-(4-ethyl-1-piperazinyl)-4-isoquinolinyl]phenoxy]ethanol IUPAC Name: 2-[4-[3-chloro-1-(4-ethylpiperazin-1-yl)isoquinolin-4-yl]phenoxy]ethanol Traditional Name: 2-[4-[3-chloro-1-(4-ethylpiperazino)-4-isoquinolyl]phenoxy]ethanol Formula: C23H26ClN3O2 MolecularWeight: 411.92444

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=C(C3=CC=CC=C32)C4=CC=C(C=C4)OCCO)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=C(C3=CC=CC=C32)C4=CC=C(C=C4)OCCO)Cl

InChI

InChI=1S/C23H26ClN3O2/c1-2-26-11-13-27(14-12-26)23-20-6-4-3-5-19(20)21(22(24)25-23)17-7-9-18(10-8-17)29-16-15-28/h3-10,28H,2,11-16H2,1H3