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

Systemtic Name: 2-(4-bromophenyl)-5-(4-butoxyphenyl)-7-fluoranyl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-bromophenyl)-5-(4-butoxyphenyl)-7-fluoro-4H-1,3,4-benzotriazepine CAS Name: 2-(4-bromophenyl)-5-(4-butoxyphenyl)-7-fluoro-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-bromophenyl)-5-(4-butoxyphenyl)-7-fluoro-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-bromophenyl)-5-(4-butoxyphenyl)-7-fluoro-4H-1,3,4-benzotriazepine Formula: C24H21BrFN3O MolecularWeight: 466.345443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)Br)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)Br)F

InChI

InChI=1S/C24H21BrFN3O/c1-2-3-14-30-20-11-6-16(7-12-20)23-21-15-19(26)10-13-22(21)27-24(29-28-23)17-4-8-18(25)9-5-17/h4-13,15,28H,2-3,14H2,1H3