2-(4-bromophenyl)-5-(3,4-diethoxyphenyl)-7-fluoranyl-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-bromophenyl)-5-(3,4-diethoxyphenyl)-7-fluoranyl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-bromophenyl)-5-(3,4-diethoxyphenyl)-7-fluoro-4H-1,3,4-benzotriazepine CAS Name: 2-(4-bromophenyl)-5-(3,4-diethoxyphenyl)-7-fluoro-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-bromophenyl)-5-(3,4-diethoxyphenyl)-7-fluoro-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-bromophenyl)-5-(3,4-diethoxyphenyl)-7-fluoro-4H-1,3,4-benzotriazepine Formula: C24H21BrFN3O2 MolecularWeight: 482.344843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)Br)F)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)Br)F)OCC

InChI

InChI=1S/C24H21BrFN3O2/c1-3-30-21-12-7-16(13-22(21)31-4-2)23-19-14-18(26)10-11-20(19)27-24(29-28-23)15-5-8-17(25)9-6-15/h5-14,28H,3-4H2,1-2H3