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

Systemtic Name: 1-[5-fluoranyl-2-[6-nitro-3-(phenylmethyl)quinolin-2-yl]oxy-phenyl]-2-pyrazol-1-yl-ethanol Openeye Name: 1-[2-[(3-benzyl-6-nitro-2-quinolyl)oxy]-5-fluoro-phenyl]-2-pyrazol-1-yl-ethanol CAS Name: 1-[5-fluoro-2-[[6-nitro-3-(phenylmethyl)-2-quinolinyl]oxy]phenyl]-2-(1-pyrazolyl)ethanol IUPAC Name: 1-[2-(3-benzyl-6-nitroquinolin-2-yl)oxy-5-fluorophenyl]-2-pyrazol-1-ylethanol Traditional Name: 1-[2-[(3-benzyl-6-nitro-2-quinolyl)oxy]-5-fluoro-phenyl]-2-pyrazol-1-yl-ethanol Formula: C27H21FN4O4 MolecularWeight: 484.478443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(N=C3C=CC(=CC3=C2)[N+](=O)[O-])OC4=C(C=C(C=C4)F)C(CN5C=CC=N5)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(N=C3C=CC(=CC3=C2)[N+](=O)[O-])OC4=C(C=C(C=C4)F)C(CN5C=CC=N5)O

InChI

InChI=1S/C27H21FN4O4/c28-21-7-10-26(23(16-21)25(33)17-31-12-4-11-29-31)36-27-20(13-18-5-2-1-3-6-18)14-19-15-22(32(34)35)8-9-24(19)30-27/h1-12,14-16,25,33H,13,17H2