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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)urea Openeye Name: 1-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-(1,3-benzodioxol-5-yl)urea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)urea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)urea Traditional Name: 1-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3-(1,3-benzodioxol-5-yl)urea Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)N(C1=O)CC=C)C

InChI

InChI=1S/C22H23N3O5/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/h4-8,10-11H,1,9,12-13H2,2-3H3,(H2,23,24,27)