1-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-3-(2-methylphenyl)urea

Systemtic Name: 1-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-3-(2-methylphenyl)urea Openeye Name: 1-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-(o-tolyl)urea CAS Name: 1-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-3-(2-methylphenyl)urea IUPAC Name: 1-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-3-(2-methylphenyl)urea Traditional Name: 1-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-3-(o-tolyl)urea Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CC=C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CC=C

InChI

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