1-phenethyl-3-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)urea

Systemtic Name: 1-phenethyl-3-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)urea Openeye Name: 1-phenethyl-3-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea CAS Name: 1-phenethyl-3-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea IUPAC Name: 1-phenethyl-3-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea Traditional Name: 1-(4-keto-3,3,5-trimethyl-2H-1,5-benzoxazepin-7-yl)-3-phenethyl-urea Formula: C21H25N3O3 MolecularWeight: 367.4415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-21(2)14-27-18-10-9-16(13-17(18)24(3)19(21)25)23-20(26)22-12-11-15-7-5-4-6-8-15/h4-10,13H,11-12,14H2,1-3H3,(H2,22,23,26)