6-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[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=NC=C(C=C2)C(F)(F)F)C3=NC=C(C=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H16F3N5/c18-17(19,20)14-3-5-16(23-12-14)25-7-1-6-24(8-9-25)15-4-2-13(10-21)11-22-15/h2-5,11-12H,1,6-9H2