1-[(2-bromanyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)methyl]-3-(2,4,6-trimethoxyphenyl)urea

Systemtic Name: 1-[(2-bromanyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)methyl]-3-(2,4,6-trimethoxyphenyl)urea Openeye Name: 1-[(2-bromo-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)methyl]-3-(2,4,6-trimethoxyphenyl)urea CAS Name: 1-[(2-bromo-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)methyl]-3-(2,4,6-trimethoxyphenyl)urea IUPAC Name: 1-[(2-bromo-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)methyl]-3-(2,4,6-trimethoxyphenyl)urea Traditional Name: 1-[(2-bromo-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)methyl]-3-(2,4,6-trimethoxyphenyl)urea Formula: C25H25BrN2O5 MolecularWeight: 513.3804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)OC)NC(=O)NCC2C3=CC=CC=C3COC4=C2C=C(C=C4)Br)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)OC)NC(=O)NCC2C3=CC=CC=C3COC4=C2C=C(C=C4)Br)OC

InChI

InChI=1S/C25H25BrN2O5/c1-30-17-11-22(31-2)24(23(12-17)32-3)28-25(29)27-13-20-18-7-5-4-6-15(18)14-33-21-9-8-16(26)10-19(20)21/h4-12,20H,13-14H2,1-3H3,(H2,27,28,29)