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

Systemtic Name: 3-chloranyl-6-pentyl-pyridazino[3,4-b][1,5]benzoxazepin-5-one Openeye Name: 3-chloro-6-pentyl-pyridazino[3,4-b][1,5]benzoxazepin-5-one CAS Name: 3-chloro-6-pentyl-5-pyridazino[3,4-b][1,5]benzoxazepinone IUPAC Name: 3-chloro-6-pentylpyridazino[3,4-b][1,5]benzoxazepin-5-one Traditional Name: 6-amyl-3-chloro-pyridazino[3,4-b][1,5]benzoxazepin-5-one Formula: C16H16ClN3O2 MolecularWeight: 317.77014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2OC3=NN=C(C=C3C1=O)Cl

Isomeric SMILES

CCCCCN1C2=CC=CC=C2OC3=NN=C(C=C3C1=O)Cl

InChI

InChI=1S/C16H16ClN3O2/c1-2-3-6-9-20-12-7-4-5-8-13(12)22-15-11(16(20)21)10-14(17)18-19-15/h4-5,7-8,10H,2-3,6,9H2,1H3