1-[[2,4-bis(fluoranyl)phenyl]-(3,4-diethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[[2,4-bis(fluoranyl)phenyl]-(3,4-diethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3,4-diethoxyphenyl)-(2,4-difluorophenyl)methyl]-1,4-diazepane CAS Name: 1-[(3,4-diethoxyphenyl)-(2,4-difluorophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,4-diethoxyphenyl)-(2,4-difluorophenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3,4-diethoxyphenyl)-(2,4-difluorophenyl)methyl]-1,4-diazepane Formula: C22H28F2N2O2 MolecularWeight: 390.466726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=C(C=C(C=C2)F)F)N3CCCNCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=C(C=C(C=C2)F)F)N3CCCNCC3)OCC

InChI

InChI=1S/C22H28F2N2O2/c1-3-27-20-9-6-16(14-21(20)28-4-2)22(26-12-5-10-25-11-13-26)18-8-7-17(23)15-19(18)24/h6-9,14-15,22,25H,3-5,10-13H2,1-2H3