2-(4-ethoxyphenyl)-7-fluoranyl-5-(4-propoxyphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-ethoxyphenyl)-7-fluoranyl-5-(4-propoxyphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-ethoxyphenyl)-7-fluoro-5-(4-propoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-ethoxyphenyl)-7-fluoro-5-(4-propoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-ethoxyphenyl)-7-fluoro-5-(4-propoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 7-fluoro-2-p-phenetyl-5-(4-propoxyphenyl)-4H-1,3,4-benzotriazepine Formula: C25H24FN3O2 MolecularWeight: 417.475363

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)OCC)F

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)OCC)F

InChI

InChI=1S/C25H24FN3O2/c1-3-15-31-21-10-5-17(6-11-21)24-22-16-19(26)9-14-23(22)27-25(29-28-24)18-7-12-20(13-8-18)30-4-2/h5-14,16,28H,3-4,15H2,1-2H3