1-(3,4-dimethoxyphenyl)-3-(6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)urea

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-(6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)urea Openeye Name: 1-(3,4-dimethoxyphenyl)-3-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)urea CAS Name: 1-(3,4-dimethoxyphenyl)-3-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)urea IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)urea Traditional Name: 1-(3,4-dimethoxyphenyl)-3-(6-keto-5H-benzo[b][1,4]benzoxazepin-8-yl)urea Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C4NC3=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C4NC3=O)OC

InChI

InChI=1S/C22H19N3O5/c1-28-19-10-8-14(12-20(19)29-2)24-22(27)23-13-7-9-17-15(11-13)21(26)25-16-5-3-4-6-18(16)30-17/h3-12H,1-2H3,(H,25,26)(H2,23,24,27)