N-tert-butyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]propanamide

Systemtic Name: N-tert-butyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]propanamide Openeye Name: N-tert-butyl-2-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]propanamide CAS Name: N-tert-butyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]propanamide IUPAC Name: N-tert-butyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]propanamide Traditional Name: N-tert-butyl-2-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]propionamide Formula: C18H27F3N4O MolecularWeight: 372.42839

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)N1CCCN(CC1)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C(=O)NC(C)(C)C)N1CCCN(CC1)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C18H27F3N4O/c1-13(16(26)23-17(2,3)4)24-8-5-9-25(11-10-24)15-7-6-14(12-22-15)18(19,20)21/h6-7,12-13H,5,8-11H2,1-4H3,(H,23,26)