2-ethyl-5,7-dimethyl-3-[(11E)-11-(2H-1,2,3,4-tetrazol-5-ylmethylidene)-6H-benzo[c][1]benzoxepin-3-yl]imidazo[4,5-b]pyridine

Systemtic Name: 2-ethyl-5,7-dimethyl-3-[(11E)-11-(2H-1,2,3,4-tetrazol-5-ylmethylidene)-6H-benzo[c][1]benzoxepin-3-yl]imidazo[4,5-b]pyridine Openeye Name: 2-ethyl-5,7-dimethyl-3-[(11E)-11-(2H-tetrazol-5-ylmethylene)-6H-benzo[c][1]benzoxepin-3-yl]imidazo[4,5-b]pyridine CAS Name: 2-ethyl-5,7-dimethyl-3-[(11E)-11-(2H-tetrazol-5-ylmethylidene)-6H-benzo[c][1]benzoxepin-3-yl]imidazo[4,5-b]pyridine IUPAC Name: 2-ethyl-5,7-dimethyl-3-[(11E)-11-(2H-tetrazol-5-ylmethylidene)-6H-benzo[c][1]benzoxepin-3-yl]imidazo[4,5-b]pyridine Traditional Name: 2-ethyl-5,7-dimethyl-3-[(11E)-11-(2H-tetrazol-5-ylmethylene)-6H-benzo[c][1]benzoxepin-3-yl]imidazo[4,5-b]pyridine Formula: C26H23N7O MolecularWeight: 449.50712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C3=CC4=C(C=C3)C(=CC5=NNN=N5)C6=CC=CC=C6CO4)N=C(C=C2C)C

Isomeric SMILES

CCC1=NC2=C(N1C3=CC4=C(C=C3)/C(=C/C5=NNN=N5)/C6=CC=CC=C6CO4)N=C(C=C2C)C

InChI

InChI=1S/C26H23N7O/c1-4-24-28-25-15(2)11-16(3)27-26(25)33(24)18-9-10-20-21(13-23-29-31-32-30-23)19-8-6-5-7-17(19)14-34-22(20)12-18/h5-13H,4,14H2,1-3H3,(H,29,30,31,32)/b21-13+