1,3-bis[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]urea

Systemtic Name: 1,3-bis[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]urea Openeye Name: 1,3-bis[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]urea CAS Name: 1,3-bis[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]urea IUPAC Name: 1,3-bis[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]urea Traditional Name: 1,3-bis[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]urea Formula: C23H28N2O5 MolecularWeight: 412.47882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)NC(C)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)NC(C)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H28N2O5/c1-15(17-5-7-19-21(13-17)29-11-3-9-27-19)24-23(26)25-16(2)18-6-8-20-22(14-18)30-12-4-10-28-20/h5-8,13-16H,3-4,9-12H2,1-2H3,(H2,24,25,26)