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

Systemtic Name: 1-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-3-(3-methylphenyl)urea Openeye Name: 1-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-(m-tolyl)urea CAS Name: 1-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-3-(3-methylphenyl)urea IUPAC Name: 1-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-3-(3-methylphenyl)urea Traditional Name: 1-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3-(m-tolyl)urea Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CC=C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CC=C)(C)C

InChI

InChI=1S/C22H25N3O3/c1-5-11-25-18-13-17(9-10-19(18)28-14-22(3,4)20(25)26)24-21(27)23-16-8-6-7-15(2)12-16/h5-10,12-13H,1,11,14H2,2-4H3,(H2,23,24,27)