4-(pyridin-2-ylmethyl)-1-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-5-one

Systemtic Name: 4-(pyridin-2-ylmethyl)-1-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-5-one Openeye Name: 4-(2-pyridylmethyl)-1-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-5-one CAS Name: 4-(2-pyridinylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-5-one IUPAC Name: 4-(pyridin-2-ylmethyl)-1-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-5-one Traditional Name: 4-(2-pyridylmethyl)-1-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-5-one Formula: C17H17F3N4O MolecularWeight: 350.33829

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CC2=CC=CC=N2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CC=CC=N2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H17F3N4O/c18-17(19,20)13-4-5-15(22-11-13)23-8-6-16(25)24(10-9-23)12-14-3-1-2-7-21-14/h1-5,7,11H,6,8-10,12H2