2-(4-bromophenyl)-7-ethyl-5-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)OC

InChI

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