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

Systemtic Name: 1-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-phenethyl-urea Openeye Name: 1-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-phenethyl-urea CAS Name: 1-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-phenethylurea IUPAC Name: 1-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-phenethylurea Traditional Name: 1-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-phenethyl-urea Formula: C23H29N3O3 MolecularWeight: 395.49466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)NC(=O)NCCC3=CC=CC=C3)OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)NC(=O)NCCC3=CC=CC=C3)OCC(C1=O)(C)C

InChI

InChI=1S/C23H29N3O3/c1-4-14-26-19-15-18(10-11-20(19)29-16-23(2,3)21(26)27)25-22(28)24-13-12-17-8-6-5-7-9-17/h5-11,15H,4,12-14,16H2,1-3H3,(H2,24,25,28)