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

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-(2-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(o-tolyl)methyl]-1,4-diazepane CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(o-tolyl)methyl]-1,4-diazepane Formula: C20H22ClF3N2 MolecularWeight: 382.85029

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC(=C(C=C2)Cl)C(F)(F)F)N3CCCNCC3

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC(=C(C=C2)Cl)C(F)(F)F)N3CCCNCC3

InChI

InChI=1S/C20H22ClF3N2/c1-14-5-2-3-6-16(14)19(26-11-4-9-25-10-12-26)15-7-8-18(21)17(13-15)20(22,23)24/h2-3,5-8,13,19,25H,4,9-12H2,1H3