3-chloranyl-9-methyl-6-nonyl-pyridazino[3,4-b][1,5]benzoxazepin-5-one

Systemtic Name: 3-chloranyl-9-methyl-6-nonyl-pyridazino[3,4-b][1,5]benzoxazepin-5-one Openeye Name: 3-chloro-9-methyl-6-nonyl-pyridazino[3,4-b][1,5]benzoxazepin-5-one CAS Name: 3-chloro-9-methyl-6-nonyl-5-pyridazino[3,4-b][1,5]benzoxazepinone IUPAC Name: 3-chloro-9-methyl-6-nonylpyridazino[3,4-b][1,5]benzoxazepin-5-one Traditional Name: 3-chloro-9-methyl-6-nonyl-pyridazino[3,4-b][1,5]benzoxazepin-5-one Formula: C21H26ClN3O2 MolecularWeight: 387.90304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(C=C(C=C2)C)OC3=NN=C(C=C3C1=O)Cl

Isomeric SMILES

CCCCCCCCCN1C2=C(C=C(C=C2)C)OC3=NN=C(C=C3C1=O)Cl

InChI

InChI=1S/C21H26ClN3O2/c1-3-4-5-6-7-8-9-12-25-17-11-10-15(2)13-18(17)27-20-16(21(25)26)14-19(22)23-24-20/h10-11,13-14H,3-9,12H2,1-2H3