3-chloranyl-6-hexyl-pyridazino[3,4-b][1,5]benzoxazepin-5-one

Systemtic Name: 3-chloranyl-6-hexyl-pyridazino[3,4-b][1,5]benzoxazepin-5-one Openeye Name: 3-chloro-6-hexyl-pyridazino[3,4-b][1,5]benzoxazepin-5-one CAS Name: 3-chloro-6-hexyl-5-pyridazino[3,4-b][1,5]benzoxazepinone IUPAC Name: 3-chloro-6-hexylpyridazino[3,4-b][1,5]benzoxazepin-5-one Traditional Name: 3-chloro-6-hexyl-pyridazino[3,4-b][1,5]benzoxazepin-5-one Formula: C17H18ClN3O2 MolecularWeight: 331.79672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2OC3=NN=C(C=C3C1=O)Cl

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2OC3=NN=C(C=C3C1=O)Cl

InChI

InChI=1S/C17H18ClN3O2/c1-2-3-4-7-10-21-13-8-5-6-9-14(13)23-16-12(17(21)22)11-15(18)19-20-16/h5-6,8-9,11H,2-4,7,10H2,1H3