1-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-3-pentan-3-yl-urea

Systemtic Name: 1-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-3-pentan-3-yl-urea Openeye Name: 1-(1-ethylpropyl)-3-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea CAS Name: 1-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3-pentan-3-ylurea IUPAC Name: 1-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3-pentan-3-ylurea Traditional Name: 1-(1-ethylpropyl)-3-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)urea Formula: C21H33N3O3 MolecularWeight: 375.50502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)NC1=CC2=C(C=C1)OCC(C(=O)N2CC(C)C)(C)C

Isomeric SMILES

CCC(CC)NC(=O)NC1=CC2=C(C=C1)OCC(C(=O)N2CC(C)C)(C)C

InChI

InChI=1S/C21H33N3O3/c1-7-15(8-2)22-20(26)23-16-9-10-18-17(11-16)24(12-14(3)4)19(25)21(5,6)13-27-18/h9-11,14-15H,7-8,12-13H2,1-6H3,(H2,22,23,26)