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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)urea Openeye Name: 1-(3,4-dimethoxyphenyl)-3-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea CAS Name: 1-(3,4-dimethoxyphenyl)-3-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea Traditional Name: 1-(3,4-dimethoxyphenyl)-3-(4-keto-3,3,5-trimethyl-2H-1,5-benzoxazepin-7-yl)urea Formula: C21H25N3O5 MolecularWeight: 399.4403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)OC)OC)N(C1=O)C)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)OC)OC)N(C1=O)C)C

InChI

InChI=1S/C21H25N3O5/c1-21(2)12-29-16-8-6-13(10-15(16)24(3)19(21)25)22-20(26)23-14-7-9-17(27-4)18(11-14)28-5/h6-11H,12H2,1-5H3,(H2,22,23,26)