4-(4-bromophenyl)-8-ethoxy-2-(4-ethoxyphenyl)-1H-1,3,5-benzotriazepine

Systemtic Name: 4-(4-bromophenyl)-8-ethoxy-2-(4-ethoxyphenyl)-1H-1,3,5-benzotriazepine Openeye Name: 4-(4-bromophenyl)-8-ethoxy-2-(4-ethoxyphenyl)-1H-1,3,5-benzotriazepine CAS Name: 4-(4-bromophenyl)-8-ethoxy-2-(4-ethoxyphenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 4-(4-bromophenyl)-8-ethoxy-2-(4-ethoxyphenyl)-1H-1,3,5-benzotriazepine Traditional Name: 4-(4-bromophenyl)-8-ethoxy-2-p-phenetyl-1H-1,3,5-benzotriazepine Formula: C24H22BrN3O2 MolecularWeight: 464.35438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)OCC)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)OCC)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H22BrN3O2/c1-3-29-19-11-7-17(8-12-19)24-27-22-15-20(30-4-2)13-14-21(22)26-23(28-24)16-5-9-18(25)10-6-16/h5-15H,3-4H2,1-2H3,(H,26,27,28)