2-(1,3-benzodioxol-5-yl)-1-[9-methoxy-7-(6-methoxypyridazin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-1-[9-methoxy-7-(6-methoxypyridazin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Openeye Name: 2-(1,3-benzodioxol-5-yl)-1-[9-methoxy-7-(6-methoxypyridazin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone CAS Name: 2-(1,3-benzodioxol-5-yl)-1-[9-methoxy-7-(6-methoxy-3-pyridazinyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-[9-methoxy-7-(6-methoxypyridazin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-[9-methoxy-7-(6-methoxypyridazin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Formula: C24H23N3O6 MolecularWeight: 449.45592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)C2=CC3=C(C(=C2)OC)OCCN(C3)C(=O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=NN=C(C=C1)C2=CC3=C(C(=C2)OC)OCCN(C3)C(=O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H23N3O6/c1-29-21-12-16(18-4-6-22(30-2)26-25-18)11-17-13-27(7-8-31-24(17)21)23(28)10-15-3-5-19-20(9-15)33-14-32-19/h3-6,9,11-12H,7-8,10,13-14H2,1-2H3