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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)OC)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)OC)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H24FN3O2/c1-3-4-15-31-20-11-7-18(8-12-20)25-28-23-16-21(30-2)13-14-22(23)27-24(29-25)17-5-9-19(26)10-6-17/h5-14,16H,3-4,15H2,1-2H3,(H,27,28,29)