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

Systemtic Name: 1-[(5-ethylpyridin-2-yl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(5-ethyl-2-pyridyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(5-ethyl-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(5-ethylpyridin-2-yl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[(5-ethyl-2-pyridyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Formula: C20H24F3N3 MolecularWeight: 363.41987

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCCNCC3

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCCNCC3

InChI

InChI=1S/C20H24F3N3/c1-2-15-7-8-18(25-14-15)19(26-11-4-9-24-10-12-26)16-5-3-6-17(13-16)20(21,22)23/h3,5-8,13-14,19,24H,2,4,9-12H2,1H3