[[2-azanyl-3-(3-phenylpiperazin-1-yl)-4-(trifluoromethyl)phenyl]amino]methylphosphonic acid

Systemtic Name: [[2-azanyl-3-(3-phenylpiperazin-1-yl)-4-(trifluoromethyl)phenyl]amino]methylphosphonic acid Openeye Name: [2-amino-3-(3-phenylpiperazin-1-yl)-4-(trifluoromethyl)anilino]methylphosphonic acid CAS Name: [2-amino-3-(3-phenyl-1-piperazinyl)-4-(trifluoromethyl)anilino]methylphosphonic acid IUPAC Name: [2-amino-3-(3-phenylpiperazin-1-yl)-4-(trifluoromethyl)anilino]methylphosphonic acid Traditional Name: [2-amino-3-(3-phenylpiperazino)-4-(trifluoromethyl)anilino]methylphosphonic acid Formula: C18H22F3N4O3P MolecularWeight: 430.361251

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C2=CC=CC=C2)C3=C(C=CC(=C3N)NCP(=O)(O)O)C(F)(F)F

Isomeric SMILES

C1CN(CC(N1)C2=CC=CC=C2)C3=C(C=CC(=C3N)NCP(=O)(O)O)C(F)(F)F

InChI

InChI=1S/C18H22F3N4O3P/c19-18(20,21)13-6-7-14(24-11-29(26,27)28)16(22)17(13)25-9-8-23-15(10-25)12-4-2-1-3-5-12/h1-7,15,23-24H,8-11,22H2,(H2,26,27,28)