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

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-pyridin-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2-pyridyl)methyl]-1,4-diazepane Formula: C18H19ClF3N3 MolecularWeight: 369.81177

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CC=CC=N3

Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CC=CC=N3

InChI

InChI=1S/C18H19ClF3N3/c19-15-6-5-13(12-14(15)18(20,21)22)17(16-4-1-2-8-24-16)25-10-3-7-23-9-11-25/h1-2,4-6,8,12,17,23H,3,7,9-11H2