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

Systemtic Name: 7-azanyl-4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5H-1,4-benzoxazepin-3-one Openeye Name: 7-amino-4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5H-1,4-benzoxazepin-3-one CAS Name: 7-amino-4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5H-1,4-benzoxazepin-3-one IUPAC Name: 7-amino-4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5H-1,4-benzoxazepin-3-one Traditional Name: 7-amino-2-ethyl-4-homoveratryl-5H-1,4-benzoxazepin-3-one Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)N)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)N)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H26N2O4/c1-4-17-21(24)23(13-15-12-16(22)6-8-18(15)27-17)10-9-14-5-7-19(25-2)20(11-14)26-3/h5-8,11-12,17H,4,9-10,13,22H2,1-3H3