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

Systemtic Name: 1-(3,3-dimethyl-4-oxidanylidene-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-[2-(4-methoxyphenyl)ethyl]urea Openeye Name: 1-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-[2-(4-methoxyphenyl)ethyl]urea CAS Name: 1-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-[2-(4-methoxyphenyl)ethyl]urea IUPAC Name: 1-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-[2-(4-methoxyphenyl)ethyl]urea Traditional Name: 1-(4-keto-3,3-dimethyl-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-[2-(4-methoxyphenyl)ethyl]urea Formula: C21H25N3O4 MolecularWeight: 383.4409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NC(=O)NCCC3=CC=C(C=C3)OC)NC1=O)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NC(=O)NCCC3=CC=C(C=C3)OC)NC1=O)C

InChI

InChI=1S/C21H25N3O4/c1-21(2)13-28-18-9-6-15(12-17(18)24-19(21)25)23-20(26)22-11-10-14-4-7-16(27-3)8-5-14/h4-9,12H,10-11,13H2,1-3H3,(H,24,25)(H2,22,23,26)