1-(4-butoxyphenyl)-3-(3,3-dimethyl-4-oxidanylidene-2,5-dihydro-1,5-benzoxazepin-7-yl)urea

Systemtic Name: 1-(4-butoxyphenyl)-3-(3,3-dimethyl-4-oxidanylidene-2,5-dihydro-1,5-benzoxazepin-7-yl)urea Openeye Name: 1-(4-butoxyphenyl)-3-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)urea CAS Name: 1-(4-butoxyphenyl)-3-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)urea IUPAC Name: 1-(4-butoxyphenyl)-3-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)urea Traditional Name: 1-(4-butoxyphenyl)-3-(4-keto-3,3-dimethyl-2,5-dihydro-1,5-benzoxazepin-7-yl)urea Formula: C22H27N3O4 MolecularWeight: 397.46748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3)(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3)(C)C

InChI

InChI=1S/C22H27N3O4/c1-4-5-12-28-17-9-6-15(7-10-17)23-21(27)24-16-8-11-19-18(13-16)25-20(26)22(2,3)14-29-19/h6-11,13H,4-5,12,14H2,1-3H3,(H,25,26)(H2,23,24,27)