1-(1,3-benzodioxol-5-yl)-3-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-7-yl)urea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-7-yl)urea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)urea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)urea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)urea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-7-yl)urea Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)OCC(C1=O)(C)C

InChI

InChI=1S/C22H25N3O5/c1-4-9-25-16-10-14(5-7-17(16)28-12-22(2,3)20(25)26)23-21(27)24-15-6-8-18-19(11-15)30-13-29-18/h5-8,10-11H,4,9,12-13H2,1-3H3,(H2,23,24,27)