2-(4-bromophenyl)-5-(4-ethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-bromophenyl)-5-(4-ethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-bromophenyl)-5-(4-ethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine CAS Name: 2-(4-bromophenyl)-5-(4-ethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-bromophenyl)-5-(4-ethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-bromophenyl)-7-methyl-5-p-phenetyl-4H-1,3,4-benzotriazepine Formula: C23H20BrN3O MolecularWeight: 434.3284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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