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

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-pyridin-4-yl-methyl]-1,4-diazepane Openeye Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(4-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]-1,4-diazepane IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]-1,4-diazepane Traditional Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(4-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=NC=C2)C3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClF3N3/c19-16-3-2-14(12-15(16)18(20,21)22)17(13-4-7-24-8-5-13)25-10-1-6-23-9-11-25/h2-5,7-8,12,17,23H,1,6,9-11H2