2-(4-bromophenyl)-5-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-bromophenyl)-5-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-bromophenyl)-5-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-bromophenyl)-5-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-bromophenyl)-5-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-bromophenyl)-5-p-phenetyl-4H-1,3,4-benzotriazepine Formula: C22H18BrN3O MolecularWeight: 420.30182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrN3O/c1-2-27-18-13-9-15(10-14-18)21-19-5-3-4-6-20(19)24-22(26-25-21)16-7-11-17(23)12-8-16/h3-14,25H,2H2,1H3