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

Systemtic Name: 1-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-3-ethyl-urea Openeye Name: 1-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-ethyl-urea CAS Name: 1-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-3-ethylurea IUPAC Name: 1-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-3-ethylurea Traditional Name: 1-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-3-ethyl-urea Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=CC2=C(C=C1)N(C(=O)C(CO2)(C)C)CC=C

Isomeric SMILES

CCNC(=O)NC1=CC2=C(C=C1)N(C(=O)C(CO2)(C)C)CC=C

InChI

InChI=1S/C17H23N3O3/c1-5-9-20-13-8-7-12(19-16(22)18-6-2)10-14(13)23-11-17(3,4)15(20)21/h5,7-8,10H,1,6,9,11H2,2-4H3,(H2,18,19,22)