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

Systemtic Name: 1-tert-butyl-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-tert-butyl-urea CAS Name: 1-tert-butyl-3-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)urea IUPAC Name: 1-tert-butyl-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-tert-butyl-urea Formula: C19H27N3O3 MolecularWeight: 345.43598

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NC(=O)NC(C)(C)C)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NC(=O)NC(C)(C)C)N(C1=O)CC=C)C

InChI

InChI=1S/C19H27N3O3/c1-7-10-22-14-11-13(20-17(24)21-18(2,3)4)8-9-15(14)25-12-19(5,6)16(22)23/h7-9,11H,1,10,12H2,2-6H3,(H2,20,21,24)