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

Systemtic Name: 4-(4-bromophenyl)-8-ethoxy-2-pyridin-3-yl-1H-1,3,5-benzotriazepine Openeye Name: 4-(4-bromophenyl)-8-ethoxy-2-(3-pyridyl)-1H-1,3,5-benzotriazepine CAS Name: 4-(4-bromophenyl)-8-ethoxy-2-(3-pyridinyl)-1H-1,3,5-benzotriazepine IUPAC Name: 4-(4-bromophenyl)-8-ethoxy-2-pyridin-3-yl-1H-1,3,5-benzotriazepine Traditional Name: 4-(4-bromophenyl)-8-ethoxy-2-(3-pyridyl)-1H-1,3,5-benzotriazepine Formula: C21H17BrN4O MolecularWeight: 421.28988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C(N2)C3=CN=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C(N2)C3=CN=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H17BrN4O/c1-2-27-17-9-10-18-19(12-17)25-21(15-4-3-11-23-13-15)26-20(24-18)14-5-7-16(22)8-6-14/h3-13H,2H2,1H3,(H,24,25,26)