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

Systemtic Name: 5-(4-ethoxyphenyl)-7-fluoranyl-2-phenyl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-ethoxyphenyl)-7-fluoro-2-phenyl-4H-1,3,4-benzotriazepine CAS Name: 5-(4-ethoxyphenyl)-7-fluoro-2-phenyl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-ethoxyphenyl)-7-fluoro-2-phenyl-4H-1,3,4-benzotriazepine Traditional Name: 7-fluoro-2-phenyl-5-p-phenetyl-4H-1,3,4-benzotriazepine Formula: C22H18FN3O MolecularWeight: 359.396223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CC=C4)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CC=C4)F

InChI

InChI=1S/C22H18FN3O/c1-2-27-18-11-8-15(9-12-18)21-19-14-17(23)10-13-20(19)24-22(26-25-21)16-6-4-3-5-7-16/h3-14,25H,2H2,1H3