3-[4-[3-chloranyl-1-(4-ethylpiperazin-1-yl)isoquinolin-4-yl]phenyl]propan-1-ol

Systemtic Name: 3-[4-[3-chloranyl-1-(4-ethylpiperazin-1-yl)isoquinolin-4-yl]phenyl]propan-1-ol Openeye Name: 3-[4-[3-chloro-1-(4-ethylpiperazin-1-yl)-4-isoquinolyl]phenyl]propan-1-ol CAS Name: 3-[4-[3-chloro-1-(4-ethyl-1-piperazinyl)-4-isoquinolinyl]phenyl]-1-propanol IUPAC Name: 3-[4-[3-chloro-1-(4-ethylpiperazin-1-yl)isoquinolin-4-yl]phenyl]propan-1-ol Traditional Name: 3-[4-[3-chloro-1-(4-ethylpiperazino)-4-isoquinolyl]phenyl]propan-1-ol Formula: C24H28ClN3O MolecularWeight: 409.95162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClN3O/c1-2-27-13-15-28(16-14-27)24-21-8-4-3-7-20(21)22(23(25)26-24)19-11-9-18(10-12-19)6-5-17-29/h3-4,7-12,29H,2,5-6,13-17H2,1H3