4-pyrimidin-5-ylcarbonyl-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-pyrimidin-5-ylcarbonyl-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(pyrimidine-5-carbonyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide CAS Name: 4-[oxo(5-pyrimidinyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(pyrimidine-5-carbonyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-(pyrimidine-5-carbonyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Formula: C18H18F3N5O2 MolecularWeight: 393.36303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CN=CN=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CN=CN=C3

InChI

InChI=1S/C18H18F3N5O2/c19-18(20,21)14-3-1-4-15(9-14)24-17(28)26-6-2-5-25(7-8-26)16(27)13-10-22-12-23-11-13/h1,3-4,9-12H,2,5-8H2,(H,24,28)