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

Systemtic Name: 2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-8-methoxy-1H-1,3,5-benzotriazepine Openeye Name: 2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-8-methoxy-1H-1,3,5-benzotriazepine CAS Name: 2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-8-methoxy-1H-1,3,5-benzotriazepine IUPAC Name: 2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-8-methoxy-1H-1,3,5-benzotriazepine Traditional Name: 4-(4-fluorophenyl)-8-methoxy-2-p-phenetyl-1H-1,3,5-benzotriazepine Formula: C23H20FN3O2 MolecularWeight: 389.422203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20FN3O2/c1-3-29-18-10-6-16(7-11-18)23-26-21-14-19(28-2)12-13-20(21)25-22(27-23)15-4-8-17(24)9-5-15/h4-14H,3H2,1-2H3,(H,25,26,27)