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

Systemtic Name: 1-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-3-(3,5-dimethylphenyl)urea Openeye Name: 1-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-(3,5-dimethylphenyl)urea CAS Name: 1-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-3-(3,5-dimethylphenyl)urea IUPAC Name: 1-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-3-(3,5-dimethylphenyl)urea Traditional Name: 1-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-3-(3,5-dimethylphenyl)urea Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CC=C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CC=C)C

InChI

InChI=1S/C23H27N3O3/c1-6-9-26-19-8-7-17(13-20(19)29-14-23(4,5)21(26)27)24-22(28)25-18-11-15(2)10-16(3)12-18/h6-8,10-13H,1,9,14H2,2-5H3,(H2,24,25,28)