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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCCNCC3

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCCNCC3

InChI

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