N-(phenylmethyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(phenylmethyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-benzyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carboxamide CAS Name: N-(phenylmethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-benzyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-benzyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carboxamide Formula: C19H21F3N4O MolecularWeight: 378.39145

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCC2=CC=CC=C2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCC2=CC=CC=C2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H21F3N4O/c20-19(21,22)16-7-8-17(23-14-16)25-9-4-10-26(12-11-25)18(27)24-13-15-5-2-1-3-6-15/h1-3,5-8,14H,4,9-13H2,(H,24,27)