3-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]carbonyl]benzamide

Systemtic Name: 3-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]carbonyl]benzamide Openeye Name: 3-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbonyl]benzamide CAS Name: 3-[oxo-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]benzamide IUPAC Name: 3-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbonyl]benzamide Traditional Name: 3-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbonyl]benzamide Formula: C19H19F3N4O2 MolecularWeight: 392.37497

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19F3N4O2/c20-19(21,22)15-5-6-16(24-12-15)25-7-2-8-26(10-9-25)18(28)14-4-1-3-13(11-14)17(23)27/h1,3-6,11-12H,2,7-10H2,(H2,23,27)