4-(4-fluorophenyl)-8-methoxy-2-[4-(2-methylpropoxy)phenyl]-1H-1,3,5-benzotriazepine

Systemtic Name: 4-(4-fluorophenyl)-8-methoxy-2-[4-(2-methylpropoxy)phenyl]-1H-1,3,5-benzotriazepine Openeye Name: 4-(4-fluorophenyl)-2-(4-isobutoxyphenyl)-8-methoxy-1H-1,3,5-benzotriazepine CAS Name: 4-(4-fluorophenyl)-8-methoxy-2-[4-(2-methylpropoxy)phenyl]-1H-1,3,5-benzotriazepine IUPAC Name: 4-(4-fluorophenyl)-8-methoxy-2-[4-(2-methylpropoxy)phenyl]-1H-1,3,5-benzotriazepine Traditional Name: 4-(4-fluorophenyl)-2-(4-isobutoxyphenyl)-8-methoxy-1H-1,3,5-benzotriazepine Formula: C25H24FN3O2 MolecularWeight: 417.475363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)OC)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)OC)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H24FN3O2/c1-16(2)15-31-20-10-6-18(7-11-20)25-28-23-14-21(30-3)12-13-22(23)27-24(29-25)17-4-8-19(26)9-5-17/h4-14,16H,15H2,1-3H3,(H,27,28,29)