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

Systemtic Name: 1-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-3-phenyl-urea Openeye Name: 1-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-phenyl-urea CAS Name: 1-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-phenylurea IUPAC Name: 1-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-phenylurea Traditional Name: 1-(2-ethyl-4-homoveratryl-3-keto-5H-1,4-benzoxazepin-7-yl)-3-phenyl-urea Formula: C28H31N3O5 MolecularWeight: 489.56284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H31N3O5/c1-4-23-27(32)31(15-14-19-10-12-25(34-2)26(16-19)35-3)18-20-17-22(11-13-24(20)36-23)30-28(33)29-21-8-6-5-7-9-21/h5-13,16-17,23H,4,14-15,18H2,1-3H3,(H2,29,30,33)