pyridin-3-yl-[4-[4-(trifluoromethyl)pyridin-3-yl]carbonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: pyridin-3-yl-[4-[4-(trifluoromethyl)pyridin-3-yl]carbonyl-1,4-diazepan-1-yl]methanone Openeye Name: 3-pyridyl-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]-1,4-diazepan-1-yl]methanone CAS Name: [4-[oxo-[4-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-diazepan-1-yl]-(3-pyridinyl)methanone IUPAC Name: pyridin-3-yl-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]-1,4-diazepan-1-yl]methanone Traditional Name: 3-pyridyl-[4-[4-(trifluoromethyl)nicotinoyl]-1,4-diazepan-1-yl]methanone Formula: C18H17F3N4O2 MolecularWeight: 378.34839

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C(C=CN=C2)C(F)(F)F)C(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(C=CN=C2)C(F)(F)F)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H17F3N4O2/c19-18(20,21)15-4-6-23-12-14(15)17(27)25-8-2-7-24(9-10-25)16(26)13-3-1-5-22-11-13/h1,3-6,11-12H,2,7-10H2