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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OCCN(C3=O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OCCN(C3=O)C

InChI

InChI=1S/C21H25N3O4/c1-3-4-12-27-17-8-5-15(6-9-17)22-21(26)23-16-7-10-19-18(14-16)20(25)24(2)11-13-28-19/h5-10,14H,3-4,11-13H2,1-2H3,(H2,22,23,26)