N-[(5S)-5-azanyl-6-(3-fluoranylazetidin-1-yl)-6-oxidanylidene-hexyl]-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[(5S)-5-azanyl-6-(3-fluoranylazetidin-1-yl)-6-oxidanylidene-hexyl]-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[(5S)-5-amino-6-(3-fluoroazetidin-1-yl)-6-oxo-hexyl]-5-methyl-2-phenyl-triazole-4-carboxamide CAS Name: N-[(5S)-5-amino-6-(3-fluoro-1-azetidinyl)-6-oxohexyl]-5-methyl-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[(5S)-5-amino-6-(3-fluoroazetidin-1-yl)-6-oxohexyl]-5-methyl-2-phenyltriazole-4-carboxamide Traditional Name: N-[(5S)-5-amino-6-(3-fluoroazetidin-1-yl)-6-keto-hexyl]-5-methyl-2-phenyl-triazole-4-carboxamide Formula: C19H25FN6O2 MolecularWeight: 388.439203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)NCCCCC(C(=O)N2CC(C2)F)N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(N=C1C(=O)NCCCC[C@@H](C(=O)N2CC(C2)F)N)C3=CC=CC=C3

InChI

InChI=1S/C19H25FN6O2/c1-13-17(24-26(23-13)15-7-3-2-4-8-15)18(27)22-10-6-5-9-16(21)19(28)25-11-14(20)12-25/h2-4,7-8,14,16H,5-6,9-12,21H2,1H3,(H,22,27)/t16-/m0/s1