2-(quinolin-2-ylmethoxy)-8-(2H-1,2,3,4-tetrazol-5-yl)-6,11-dihydrobenzo[c][1]benzoxepin-11-ol

Systemtic Name: 2-(quinolin-2-ylmethoxy)-8-(2H-1,2,3,4-tetrazol-5-yl)-6,11-dihydrobenzo[c][1]benzoxepin-11-ol Openeye Name: 2-(2-quinolylmethoxy)-8-(2H-tetrazol-5-yl)-6,11-dihydrobenzo[c][1]benzoxepin-11-ol CAS Name: 2-(2-quinolinylmethoxy)-8-(2H-tetrazol-5-yl)-6,11-dihydrobenzo[c][1]benzoxepin-11-ol IUPAC Name: 2-(quinolin-2-ylmethoxy)-8-(2H-tetrazol-5-yl)-6,11-dihydrobenzo[c][1]benzoxepin-11-ol Traditional Name: 2-(2-quinolylmethoxy)-8-(2H-tetrazol-5-yl)-6,11-dihydrobenzo[c][1]benzoxepin-11-ol Formula: C25H19N5O3 MolecularWeight: 437.45006

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C3=NNN=N3)C(C4=C(O1)C=CC(=C4)OCC5=NC6=CC=CC=C6C=C5)O

Isomeric SMILES

C1C2=C(C=CC(=C2)C3=NNN=N3)C(C4=C(O1)C=CC(=C4)OCC5=NC6=CC=CC=C6C=C5)O

InChI

InChI=1S/C25H19N5O3/c31-24-20-9-6-16(25-27-29-30-28-25)11-17(20)13-33-23-10-8-19(12-21(23)24)32-14-18-7-5-15-3-1-2-4-22(15)26-18/h1-12,24,31H,13-14H2,(H,27,28,29,30)