3-chloranyl-6-(3-cyclohexylpropyl)-8-methyl-pyridazino[3,4-b][1,5]benzoxazepin-5-one

Systemtic Name: 3-chloranyl-6-(3-cyclohexylpropyl)-8-methyl-pyridazino[3,4-b][1,5]benzoxazepin-5-one Openeye Name: 3-chloro-6-(3-cyclohexylpropyl)-8-methyl-pyridazino[3,4-b][1,5]benzoxazepin-5-one CAS Name: 3-chloro-6-(3-cyclohexylpropyl)-8-methyl-5-pyridazino[3,4-b][1,5]benzoxazepinone IUPAC Name: 3-chloro-6-(3-cyclohexylpropyl)-8-methylpyridazino[3,4-b][1,5]benzoxazepin-5-one Traditional Name: 3-chloro-6-(3-cyclohexylpropyl)-8-methyl-pyridazino[3,4-b][1,5]benzoxazepin-5-one Formula: C21H24ClN3O2 MolecularWeight: 385.88716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=NN=C(C=C3C(=O)N2CCCC4CCCCC4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=NN=C(C=C3C(=O)N2CCCC4CCCCC4)Cl

InChI

InChI=1S/C21H24ClN3O2/c1-14-9-10-18-17(12-14)25(11-5-8-15-6-3-2-4-7-15)21(26)16-13-19(22)23-24-20(16)27-18/h9-10,12-13,15H,2-8,11H2,1H3