4-(4-bromophenyl)-8-ethyl-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine

Systemtic Name: 4-(4-bromophenyl)-8-ethyl-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Openeye Name: 4-(4-bromophenyl)-8-ethyl-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine CAS Name: 4-(4-bromophenyl)-8-ethyl-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 4-(4-bromophenyl)-8-ethyl-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Traditional Name: 4-(4-bromophenyl)-8-ethyl-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Formula: C23H20BrN3O MolecularWeight: 434.3284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H20BrN3O/c1-3-15-4-13-20-21(14-15)26-23(17-7-11-19(28-2)12-8-17)27-22(25-20)16-5-9-18(24)10-6-16/h4-14H,3H2,1-2H3,(H,25,26,27)