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

Systemtic Name: 1-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)urea CAS Name: 1-(3,4-dichlorophenyl)-3-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)urea IUPAC Name: 1-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)urea Formula: C21H21Cl2N3O3 MolecularWeight: 434.31574

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)N(C1=O)CC=C)C

InChI

InChI=1S/C21H21Cl2N3O3/c1-4-9-26-17-11-14(6-8-18(17)29-12-21(2,3)19(26)27)25-20(28)24-13-5-7-15(22)16(23)10-13/h4-8,10-11H,1,9,12H2,2-3H3,(H2,24,25,28)