7-azanyl-4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5H-1,4-benzoxazepin-3-one

Systemtic Name: 7-azanyl-4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5H-1,4-benzoxazepin-3-one Openeye Name: 7-amino-4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5H-1,4-benzoxazepin-3-one CAS Name: 7-amino-4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5H-1,4-benzoxazepin-3-one IUPAC Name: 7-amino-4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5H-1,4-benzoxazepin-3-one Traditional Name: 7-amino-4-homoveratryl-2-methyl-5H-1,4-benzoxazepin-3-one Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC2=C(O1)C=CC(=C2)N)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1C(=O)N(CC2=C(O1)C=CC(=C2)N)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H24N2O4/c1-13-20(23)22(12-15-11-16(21)5-7-17(15)26-13)9-8-14-4-6-18(24-2)19(10-14)25-3/h4-7,10-11,13H,8-9,12,21H2,1-3H3