3-azanyl-4-[5-azanyl-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]imino-cyclohexa-2,5-dien-1-one

Systemtic Name: 3-azanyl-4-[5-azanyl-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]imino-cyclohexa-2,5-dien-1-one Openeye Name: 3-amino-4-[5-amino-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]imino-cyclohexa-2,5-dien-1-one CAS Name: 3-amino-4-[[5-amino-1-(2-hydroxyethyl)-3-(trifluoromethyl)-4-pyrazolyl]imino]-1-cyclohexa-2,5-dienone IUPAC Name: 3-amino-4-[5-amino-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]iminocyclohexa-2,5-dien-1-one Traditional Name: 3-amino-4-[5-amino-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]imino-cyclohexa-2,5-dien-1-one Formula: C12H12F3N5O2 MolecularWeight: 315.25119

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC2=C(N(N=C2C(F)(F)F)CCO)N)C(=CC1=O)N

Isomeric SMILES

C1=CC(=NC2=C(N(N=C2C(F)(F)F)CCO)N)C(=CC1=O)N

InChI

InChI=1S/C12H12F3N5O2/c13-12(14,15)10-9(11(17)20(19-10)3-4-21)18-8-2-1-6(22)5-7(8)16/h1-2,5,21H,3-4,16-17H2