[[2-[7-azanyl-5-(trifluoromethyl)azepan-4-yl]phenyl]amino]methylphosphonic acid

Systemtic Name: [[2-[7-azanyl-5-(trifluoromethyl)azepan-4-yl]phenyl]amino]methylphosphonic acid Openeye Name: [2-[7-amino-5-(trifluoromethyl)azepan-4-yl]anilino]methylphosphonic acid CAS Name: [2-[7-amino-5-(trifluoromethyl)-4-azepanyl]anilino]methylphosphonic acid IUPAC Name: [2-[7-amino-5-(trifluoromethyl)azepan-4-yl]anilino]methylphosphonic acid Traditional Name: [2-[7-amino-5-(trifluoromethyl)azepan-4-yl]anilino]methylphosphonic acid Formula: C14H21F3N3O3P MolecularWeight: 367.303811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC(CC(C1C2=CC=CC=C2NCP(=O)(O)O)C(F)(F)F)N

Isomeric SMILES

C1CNC(CC(C1C2=CC=CC=C2NCP(=O)(O)O)C(F)(F)F)N

InChI

InChI=1S/C14H21F3N3O3P/c15-14(16,17)11-7-13(18)19-6-5-9(11)10-3-1-2-4-12(10)20-8-24(21,22)23/h1-4,9,11,13,19-20H,5-8,18H2,(H2,21,22,23)