6-chloranyl-3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-2-methyl-2H-1,3-benzoxazin-4-one

Systemtic Name: 6-chloranyl-3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-2-methyl-2H-1,3-benzoxazin-4-one Openeye Name: 6-chloro-3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-2-methyl-2H-1,3-benzoxazin-4-one CAS Name: 6-chloro-3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-2-methyl-2H-1,3-benzoxazin-4-one IUPAC Name: 6-chloro-3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-2-methyl-2H-1,3-benzoxazin-4-one Traditional Name: 6-chloro-3-[3-(homoveratrylamino)propyl]-2-methyl-2H-1,3-benzoxazin-4-one Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C(=O)C2=C(O1)C=CC(=C2)Cl)CCCNCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1N(C(=O)C2=C(O1)C=CC(=C2)Cl)CCCNCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H27ClN2O4/c1-15-25(22(26)18-14-17(23)6-8-19(18)29-15)12-4-10-24-11-9-16-5-7-20(27-2)21(13-16)28-3/h5-8,13-15,24H,4,9-12H2,1-3H3