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

Systemtic Name: 3-chloranyl-8-methyl-6-(3-methylbutyl)pyridazino[3,4-b][1,5]benzoxazepin-5-one Openeye Name: 3-chloro-6-isopentyl-8-methyl-pyridazino[3,4-b][1,5]benzoxazepin-5-one CAS Name: 3-chloro-8-methyl-6-(3-methylbutyl)-5-pyridazino[3,4-b][1,5]benzoxazepinone IUPAC Name: 3-chloro-8-methyl-6-(3-methylbutyl)pyridazino[3,4-b][1,5]benzoxazepin-5-one Traditional Name: 3-chloro-6-isoamyl-8-methyl-pyridazino[3,4-b][1,5]benzoxazepin-5-one Formula: C17H18ClN3O2 MolecularWeight: 331.79672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=NN=C(C=C3C(=O)N2CCC(C)C)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=NN=C(C=C3C(=O)N2CCC(C)C)Cl

InChI

InChI=1S/C17H18ClN3O2/c1-10(2)6-7-21-13-8-11(3)4-5-14(13)23-16-12(17(21)22)9-15(18)19-20-16/h4-5,8-10H,6-7H2,1-3H3