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

Systemtic Name: 2-(4-bromophenyl)-5-(4-ethoxyphenyl)-7-methoxy-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-bromophenyl)-5-(4-ethoxyphenyl)-7-methoxy-4H-1,3,4-benzotriazepine CAS Name: 2-(4-bromophenyl)-5-(4-ethoxyphenyl)-7-methoxy-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-bromophenyl)-5-(4-ethoxyphenyl)-7-methoxy-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-bromophenyl)-7-methoxy-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)Br)OC

Isomeric SMILES

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

InChI

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