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

Systemtic Name: 1-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-3-[2-(4-methoxyphenyl)ethyl]urea Openeye Name: 1-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-[2-(4-methoxyphenyl)ethyl]urea CAS Name: 1-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-3-[2-(4-methoxyphenyl)ethyl]urea IUPAC Name: 1-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-3-[2-(4-methoxyphenyl)ethyl]urea Traditional Name: 1-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3-[2-(4-methoxyphenyl)ethyl]urea Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NC(=O)NCCC3=CC=C(C=C3)OC)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NC(=O)NCCC3=CC=C(C=C3)OC)N(C1=O)CC=C)C

InChI

InChI=1S/C24H29N3O4/c1-5-14-27-20-15-18(8-11-21(20)31-16-24(2,3)22(27)28)26-23(29)25-13-12-17-6-9-19(30-4)10-7-17/h5-11,15H,1,12-14,16H2,2-4H3,(H2,25,26,29)