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

Systemtic Name: 1-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1-methyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane CAS Name: 1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1-methyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane Formula: C12H16F3N3 MolecularWeight: 259.27075

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CN1CCCN(CC1)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C12H16F3N3/c1-17-5-2-6-18(8-7-17)11-4-3-10(9-16-11)12(13,14)15/h3-4,9H,2,5-8H2,1H3