8-bromanyl-2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepine

Systemtic Name: 8-bromanyl-2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepine Openeye Name: 8-bromo-2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepine CAS Name: 8-bromo-2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 8-bromo-2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1H-1,3,5-benzotriazepine Traditional Name: 8-bromo-4-(4-fluorophenyl)-2-p-phenetyl-1H-1,3,5-benzotriazepine Formula: C22H17BrFN3O MolecularWeight: 438.292283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)Br)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)Br)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H17BrFN3O/c1-2-28-18-10-5-15(6-11-18)22-26-20-13-16(23)7-12-19(20)25-21(27-22)14-3-8-17(24)9-4-14/h3-13H,2H2,1H3,(H,25,26,27)