3-chloranyl-8-methoxy-6-(2-methylpropyl)pyridazino[3,4-b][1,5]benzoxazepin-5-one

Systemtic Name: 3-chloranyl-8-methoxy-6-(2-methylpropyl)pyridazino[3,4-b][1,5]benzoxazepin-5-one Openeye Name: 3-chloro-6-isobutyl-8-methoxy-pyridazino[3,4-b][1,5]benzoxazepin-5-one CAS Name: 3-chloro-8-methoxy-6-(2-methylpropyl)-5-pyridazino[3,4-b][1,5]benzoxazepinone IUPAC Name: 3-chloro-8-methoxy-6-(2-methylpropyl)pyridazino[3,4-b][1,5]benzoxazepin-5-one Traditional Name: 3-chloro-6-isobutyl-8-methoxy-pyridazino[3,4-b][1,5]benzoxazepin-5-one Formula: C16H16ClN3O3 MolecularWeight: 333.76954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=CC(=C2)OC)OC3=NN=C(C=C3C1=O)Cl

Isomeric SMILES

CC(C)CN1C2=C(C=CC(=C2)OC)OC3=NN=C(C=C3C1=O)Cl

InChI

InChI=1S/C16H16ClN3O3/c1-9(2)8-20-12-6-10(22-3)4-5-13(12)23-15-11(16(20)21)7-14(17)18-19-15/h4-7,9H,8H2,1-3H3