2-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]nicotinonitrile Formula: C17H16F3N5 MolecularWeight: 347.33765

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=C(C=CC=N2)C#N)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C2=C(C=CC=N2)C#N)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H16F3N5/c18-17(19,20)14-4-5-15(23-12-14)24-7-2-8-25(10-9-24)16-13(11-21)3-1-6-22-16/h1,3-6,12H,2,7-10H2