3-(4-ethoxyphenyl)-1-(2-fluorophenyl)-6,7-dimethoxy-isoquinoline

Systemtic Name: 3-(4-ethoxyphenyl)-1-(2-fluorophenyl)-6,7-dimethoxy-isoquinoline Openeye Name: 3-(4-ethoxyphenyl)-1-(2-fluorophenyl)-6,7-dimethoxy-isoquinoline CAS Name: 3-(4-ethoxyphenyl)-1-(2-fluorophenyl)-6,7-dimethoxyisoquinoline IUPAC Name: 3-(4-ethoxyphenyl)-1-(2-fluorophenyl)-6,7-dimethoxyisoquinoline Traditional Name: 1-(2-fluorophenyl)-6,7-dimethoxy-3-p-phenetyl-isoquinoline Formula: C25H22FNO3 MolecularWeight: 403.445483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC3=CC(=C(C=C3C(=N2)C4=CC=CC=C4F)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC3=CC(=C(C=C3C(=N2)C4=CC=CC=C4F)OC)OC

InChI

InChI=1S/C25H22FNO3/c1-4-30-18-11-9-16(10-12-18)22-13-17-14-23(28-2)24(29-3)15-20(17)25(27-22)19-7-5-6-8-21(19)26/h5-15H,4H2,1-3H3