7-bromanyl-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 7-bromanyl-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-2-(4-methoxyphenyl)-5-p-phenetyl-4H-1,3,4-benzotriazepine Formula: C23H20BrN3O2 MolecularWeight: 450.3278

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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)OC)Br

Isomeric SMILES

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

InChI

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