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

Systemtic Name: 1-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-3-pentan-3-yl-urea Openeye Name: 1-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-(1-ethylpropyl)urea CAS Name: 1-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-3-pentan-3-ylurea IUPAC Name: 1-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-3-pentan-3-ylurea Traditional Name: 1-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-3-(1-ethylpropyl)urea Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)NC1=CC2=C(C=C1)N(C(=O)C(CO2)(C)C)CC=C

Isomeric SMILES

CCC(CC)NC(=O)NC1=CC2=C(C=C1)N(C(=O)C(CO2)(C)C)CC=C

InChI

InChI=1S/C20H29N3O3/c1-6-11-23-16-10-9-15(22-19(25)21-14(7-2)8-3)12-17(16)26-13-20(4,5)18(23)24/h6,9-10,12,14H,1,7-8,11,13H2,2-5H3,(H2,21,22,25)