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

Systemtic Name: 1-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-3-propan-2-yl-urea Openeye Name: 1-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-isopropyl-urea CAS Name: 1-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-3-propan-2-ylurea IUPAC Name: 1-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-3-propan-2-ylurea Traditional Name: 1-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-3-isopropyl-urea Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3/c1-6-9-21-14-8-7-13(20-17(23)19-12(2)3)10-15(14)24-11-18(4,5)16(21)22/h6-8,10,12H,1,9,11H2,2-5H3,(H2,19,20,23)