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

Systemtic Name: 4-(4-bromophenyl)-8-ethoxy-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Openeye Name: 4-(4-bromophenyl)-8-ethoxy-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine CAS Name: 4-(4-bromophenyl)-8-ethoxy-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 4-(4-bromophenyl)-8-ethoxy-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Traditional Name: 4-(4-bromophenyl)-8-ethoxy-2-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Formula: C23H20BrN3O2 MolecularWeight: 450.3278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H20BrN3O2/c1-3-29-19-12-13-20-21(14-19)26-23(16-6-10-18(28-2)11-7-16)27-22(25-20)15-4-8-17(24)9-5-15/h4-14H,3H2,1-2H3,(H,25,26,27)