4-[[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]methylidene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one

Systemtic Name: 4-[[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]methylidene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one Openeye Name: 4-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]methylene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one CAS Name: 4-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]methylidene]-5-(hydroxymethyl)-2-methyl-3-pyridinone IUPAC Name: 4-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]methylidene]-5-(hydroxymethyl)-2-methylpyridin-3-one Traditional Name: 4-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]methylene]-2-methyl-5-methylol-pyridin-3-one Formula: C18H19ClN2O4 MolecularWeight: 362.80746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNCC2=CC3=C(C(=C2)Cl)OCCCO3)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNCC2=CC3=C(C(=C2)Cl)OCCCO3)C1=O)CO

InChI

InChI=1S/C18H19ClN2O4/c1-11-17(23)14(13(10-22)8-21-11)9-20-7-12-5-15(19)18-16(6-12)24-3-2-4-25-18/h5-6,8-9,20,22H,2-4,7,10H2,1H3