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

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-pyridin-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-pyridin-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-pyridyl)methyl]-1,4-diazepane Formula: C18H19ClF3N3 MolecularWeight: 369.81177

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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