5-fluoranyl-3-[3-(4-isoquinolin-3-ylpiperazin-1-yl)propyl]-1,2-benzoxazole

Systemtic Name: 5-fluoranyl-3-[3-(4-isoquinolin-3-ylpiperazin-1-yl)propyl]-1,2-benzoxazole Openeye Name: 5-fluoro-3-[3-[4-(3-isoquinolyl)piperazin-1-yl]propyl]-1,2-benzoxazole CAS Name: 5-fluoro-3-[3-[4-(3-isoquinolinyl)-1-piperazinyl]propyl]-1,2-benzoxazole IUPAC Name: 5-fluoro-3-[3-(4-isoquinolin-3-ylpiperazin-1-yl)propyl]-1,2-benzoxazole Traditional Name: 5-fluoro-3-[3-[4-(3-isoquinolyl)piperazino]propyl]indoxazene Formula: C23H23FN4O MolecularWeight: 390.453323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=NOC3=C2C=C(C=C3)F)C4=CC5=CC=CC=C5C=N4

Isomeric SMILES

C1CN(CCN1CCCC2=NOC3=C2C=C(C=C3)F)C4=CC5=CC=CC=C5C=N4

InChI

InChI=1S/C23H23FN4O/c24-19-7-8-22-20(15-19)21(26-29-22)6-3-9-27-10-12-28(13-11-27)23-14-17-4-1-2-5-18(17)16-25-23/h1-2,4-5,7-8,14-16H,3,6,9-13H2