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

Systemtic Name: 1-(4-tert-butylphenyl)-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-(4-tert-butylphenyl)urea CAS Name: 1-(4-tert-butylphenyl)-3-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)urea IUPAC Name: 1-(4-tert-butylphenyl)-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-(4-tert-butylphenyl)urea Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3/c1-7-14-28-20-15-19(12-13-21(20)31-16-25(5,6)22(28)29)27-23(30)26-18-10-8-17(9-11-18)24(2,3)4/h7-13,15H,1,14,16H2,2-6H3,(H2,26,27,30)