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

Systemtic Name: 3-azanyl-4-[5-azanyl-1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]imino-cyclohexa-2,5-dien-1-one Openeye Name: 3-amino-4-[5-amino-1-isopropyl-3-(trifluoromethyl)pyrazol-4-yl]imino-cyclohexa-2,5-dien-1-one CAS Name: 3-amino-4-[[5-amino-1-propan-2-yl-3-(trifluoromethyl)-4-pyrazolyl]imino]-1-cyclohexa-2,5-dienone IUPAC Name: 3-amino-4-[5-amino-1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]iminocyclohexa-2,5-dien-1-one Traditional Name: 3-amino-4-[5-amino-1-isopropyl-3-(trifluoromethyl)pyrazol-4-yl]imino-cyclohexa-2,5-dien-1-one Formula: C13H14F3N5O MolecularWeight: 313.27837

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C(C(=N1)C(F)(F)F)N=C2C=CC(=O)C=C2N)N

Isomeric SMILES

CC(C)N1C(=C(C(=N1)C(F)(F)F)N=C2C=CC(=O)C=C2N)N

InChI

InChI=1S/C13H14F3N5O/c1-6(2)21-12(18)10(11(20-21)13(14,15)16)19-9-4-3-7(22)5-8(9)17/h3-6H,17-18H2,1-2H3