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

Systemtic Name: 3-azanyl-4-[5-azanyl-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]imino-cyclohexa-2,5-dien-1-one Openeye Name: 3-amino-4-[5-amino-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]imino-cyclohexa-2,5-dien-1-one CAS Name: 3-amino-4-[[5-amino-1-phenyl-3-(trifluoromethyl)-4-pyrazolyl]imino]-1-cyclohexa-2,5-dienone IUPAC Name: 3-amino-4-[5-amino-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]iminocyclohexa-2,5-dien-1-one Traditional Name: 3-amino-4-[5-amino-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]imino-cyclohexa-2,5-dien-1-one Formula: C16H12F3N5O MolecularWeight: 347.29459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)N=C3C=CC(=O)C=C3N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)N=C3C=CC(=O)C=C3N)N

InChI

InChI=1S/C16H12F3N5O/c17-16(18,19)14-13(22-12-7-6-10(25)8-11(12)20)15(21)24(23-14)9-4-2-1-3-5-9/h1-8H,20-21H2