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

Systemtic Name: 1-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-3-(3-methoxyphenyl)urea Openeye Name: 1-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-(3-methoxyphenyl)urea CAS Name: 1-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-3-(3-methoxyphenyl)urea IUPAC Name: 1-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-3-(3-methoxyphenyl)urea Traditional Name: 1-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3-(3-methoxyphenyl)urea Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4/c1-5-11-25-18-13-16(9-10-19(18)29-14-22(2,3)20(25)26)24-21(27)23-15-7-6-8-17(12-15)28-4/h5-10,12-13H,1,11,14H2,2-4H3,(H2,23,24,27)