1-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-3-ethyl-urea

Systemtic Name: 1-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-3-ethyl-urea Openeye Name: 1-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-ethyl-urea CAS Name: 1-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-ethylurea IUPAC Name: 1-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-ethylurea Traditional Name: 1-ethyl-3-(2-ethyl-4-homoveratryl-3-keto-5H-1,4-benzoxazepin-7-yl)urea Formula: C24H31N3O5 MolecularWeight: 441.52004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O5/c1-5-19-23(28)27(12-11-16-7-9-21(30-3)22(13-16)31-4)15-17-14-18(8-10-20(17)32-19)26-24(29)25-6-2/h7-10,13-14,19H,5-6,11-12,15H2,1-4H3,(H2,25,26,29)