1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanone

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanone Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(5-phenyltetrazol-2-yl)ethanone CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(5-phenyl-2-tetrazolyl)ethanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(5-phenyltetrazol-2-yl)ethanone Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(5-phenyltetrazol-2-yl)ethanone Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CN3N=C(N=N3)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CN3N=C(N=N3)C4=CC=CC=C4)OC1

InChI

InChI=1S/C18H16N4O3/c23-15(14-7-8-16-17(11-14)25-10-4-9-24-16)12-22-20-18(19-21-22)13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10,12H2