4-[2-fluoranyl-6-[4-(pyrazol-1-ylmethyl)phenyl]phenoxy]-6,7-dimethoxy-quinoline

Systemtic Name: 4-[2-fluoranyl-6-[4-(pyrazol-1-ylmethyl)phenyl]phenoxy]-6,7-dimethoxy-quinoline Openeye Name: 4-[2-fluoro-6-[4-(pyrazol-1-ylmethyl)phenyl]phenoxy]-6,7-dimethoxy-quinoline CAS Name: 4-[2-fluoro-6-[4-(1-pyrazolylmethyl)phenyl]phenoxy]-6,7-dimethoxyquinoline IUPAC Name: 4-[2-fluoro-6-[4-(pyrazol-1-ylmethyl)phenyl]phenoxy]-6,7-dimethoxyquinoline Traditional Name: 4-[2-fluoro-6-[4-(pyrazol-1-ylmethyl)phenyl]phenoxy]-6,7-dimethoxy-quinoline Formula: C27H22FN3O3 MolecularWeight: 455.480283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1OC)OC3=C(C=CC=C3F)C4=CC=C(C=C4)CN5C=CC=N5

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OC)OC3=C(C=CC=C3F)C4=CC=C(C=C4)CN5C=CC=N5

InChI

InChI=1S/C27H22FN3O3/c1-32-25-15-21-23(16-26(25)33-2)29-13-11-24(21)34-27-20(5-3-6-22(27)28)19-9-7-18(8-10-19)17-31-14-4-12-30-31/h3-16H,17H2,1-2H3