2-[[7-oxidanylidene-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[7-oxidanylidene-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[7-oxo-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 2-[[7-oxo-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 2-[[7-oxo-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 2-[[7-keto-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C19H17F3N4O MolecularWeight: 374.35969

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CC2=CC=CC=C2C#N)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CC=CC=C2C#N)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H17F3N4O/c20-19(21,22)16-5-6-17(24-12-16)25-8-7-18(27)26(10-9-25)13-15-4-2-1-3-14(15)11-23/h1-6,12H,7-10,13H2