5-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-fluoranyl-phenyl]-2-methyl-pentan-2-ol

Systemtic Name: 5-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-fluoranyl-phenyl]-2-methyl-pentan-2-ol Openeye Name: 5-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-2-fluoro-phenyl]-2-methyl-pentan-2-ol CAS Name: 5-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-2-fluorophenyl]-2-methyl-2-pentanol IUPAC Name: 5-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-fluorophenyl]-2-methylpentan-2-ol Traditional Name: 5-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]-2-fluoro-phenyl]-2-methyl-pentan-2-ol Formula: C27H34FN3O MolecularWeight: 435.576763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34FN3O/c1-4-30-14-16-31(17-15-30)26-23-10-6-5-8-21(23)19-25(29-26)22-12-11-20(24(28)18-22)9-7-13-27(2,3)32/h5-6,8,10-12,18-19,32H,4,7,9,13-17H2,1-3H3