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

Systemtic Name: 1-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-3-ethyl-urea Openeye Name: 1-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-ethyl-urea CAS Name: 1-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-ethylurea IUPAC Name: 1-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-ethylurea Traditional Name: 1-ethyl-3-(4-homoveratryl-3-keto-2-methyl-5H-1,4-benzoxazepin-7-yl)urea Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=CC2=C(C=C1)OC(C(=O)N(C2)CCC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CCNC(=O)NC1=CC2=C(C=C1)OC(C(=O)N(C2)CCC3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C23H29N3O5/c1-5-24-23(28)25-18-7-9-19-17(13-18)14-26(22(27)15(2)31-19)11-10-16-6-8-20(29-3)21(12-16)30-4/h6-9,12-13,15H,5,10-11,14H2,1-4H3,(H2,24,25,28)