1-[5-fluoranyl-2-[6-nitro-3-(phenylmethyl)quinolin-2-yl]oxy-phenyl]-2-piperazin-1-yl-ethanol

Systemtic Name: 1-[5-fluoranyl-2-[6-nitro-3-(phenylmethyl)quinolin-2-yl]oxy-phenyl]-2-piperazin-1-yl-ethanol Openeye Name: 1-[2-[(3-benzyl-6-nitro-2-quinolyl)oxy]-5-fluoro-phenyl]-2-piperazin-1-yl-ethanol CAS Name: 1-[5-fluoro-2-[[6-nitro-3-(phenylmethyl)-2-quinolinyl]oxy]phenyl]-2-(1-piperazinyl)ethanol IUPAC Name: 1-[2-(3-benzyl-6-nitroquinolin-2-yl)oxy-5-fluorophenyl]-2-piperazin-1-ylethanol Traditional Name: 1-[2-[(3-benzyl-6-nitro-2-quinolyl)oxy]-5-fluoro-phenyl]-2-piperazino-ethanol Formula: C28H27FN4O4 MolecularWeight: 502.536783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC(C2=C(C=CC(=C2)F)OC3=C(C=C4C=C(C=CC4=N3)[N+](=O)[O-])CC5=CC=CC=C5)O

Isomeric SMILES

C1CN(CCN1)CC(C2=C(C=CC(=C2)F)OC3=C(C=C4C=C(C=CC4=N3)[N+](=O)[O-])CC5=CC=CC=C5)O

InChI

InChI=1S/C28H27FN4O4/c29-22-6-9-27(24(17-22)26(34)18-32-12-10-30-11-13-32)37-28-21(14-19-4-2-1-3-5-19)15-20-16-23(33(35)36)7-8-25(20)31-28/h1-9,15-17,26,30,34H,10-14,18H2