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

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-(3,4-diethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3,4-diethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3,4-diethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3,4-diethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3,4-diethoxyphenyl)methyl]-1,4-diazepane Formula: C23H28ClF3N2O2 MolecularWeight: 456.92883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClF3N2O2/c1-3-30-20-9-6-16(14-21(20)31-4-2)22(29-12-5-10-28-11-13-29)18-15-17(23(25,26)27)7-8-19(18)24/h6-9,14-15,22,28H,3-5,10-13H2,1-2H3