3-[2,4-bis(fluoranyl)phenyl]-1-heptyl-1-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-1-heptyl-1-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea Openeye Name: 3-(2,4-difluorophenyl)-1-heptyl-1-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea CAS Name: 3-(2,4-difluorophenyl)-1-heptyl-1-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea IUPAC Name: 3-(2,4-difluorophenyl)-1-heptyl-1-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea Traditional Name: 3-(2,4-difluorophenyl)-1-heptyl-1-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea Formula: C24H30F2N2O2 MolecularWeight: 416.504006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1CCCOC2=CC=CC=C12)C(=O)NC3=C(C=C(C=C3)F)F

Isomeric SMILES

CCCCCCCN(C1CCCOC2=CC=CC=C12)C(=O)NC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C24H30F2N2O2/c1-2-3-4-5-8-15-28(24(29)27-21-14-13-18(25)17-20(21)26)22-11-9-16-30-23-12-7-6-10-19(22)23/h6-7,10,12-14,17,22H,2-5,8-9,11,15-16H2,1H3,(H,27,29)