1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-(3-ethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-(3-ethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-ethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-ethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-ethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-m-phenetyl-methyl]-1,4-diazepane Formula: C21H24ClF3N2O MolecularWeight: 412.87627

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=C(C=CC(=C2)C(F)(F)F)Cl)N3CCCNCC3

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=C(C=CC(=C2)C(F)(F)F)Cl)N3CCCNCC3

InChI

InChI=1S/C21H24ClF3N2O/c1-2-28-17-6-3-5-15(13-17)20(27-11-4-9-26-10-12-27)18-14-16(21(23,24)25)7-8-19(18)22/h3,5-8,13-14,20,26H,2,4,9-12H2,1H3