2-(4-fluorophenyl)-7-methoxy-5-[4-(2-methylpropoxy)phenyl]-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-fluorophenyl)-7-methoxy-5-[4-(2-methylpropoxy)phenyl]-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-fluorophenyl)-5-(4-isobutoxyphenyl)-7-methoxy-4H-1,3,4-benzotriazepine CAS Name: 2-(4-fluorophenyl)-7-methoxy-5-[4-(2-methylpropoxy)phenyl]-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-fluorophenyl)-7-methoxy-5-[4-(2-methylpropoxy)phenyl]-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-fluorophenyl)-5-(4-isobutoxyphenyl)-7-methoxy-4H-1,3,4-benzotriazepine Formula: C25H24FN3O2 MolecularWeight: 417.475363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)F)OC

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)F)OC

InChI

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