6-[4-[(3-propan-2-ylphenyl)carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate

Systemtic Name: 6-[4-[(3-propan-2-ylphenyl)carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate Openeye Name: 6-[4-[(3-isopropylphenyl)carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate CAS Name: 6-[4-[oxo-(3-propan-2-ylanilino)methyl]-5-(trifluoromethyl)-1-pyrazolyl]-3-pyridazinolate IUPAC Name: 6-[4-[(3-propan-2-ylphenyl)carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate Traditional Name: 6-[4-(m-cumenylcarbamoyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate Formula: C18H15F3N5O2- MolecularWeight: 390.33921

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)NC(=O)C2=C(N(N=C2)C3=NN=C(C=C3)[O-])C(F)(F)F

Isomeric SMILES

CC(C)C1=CC(=CC=C1)NC(=O)C2=C(N(N=C2)C3=NN=C(C=C3)[O-])C(F)(F)F

InChI

InChI=1S/C18H16F3N5O2/c1-10(2)11-4-3-5-12(8-11)23-17(28)13-9-22-26(16(13)18(19,20)21)14-6-7-15(27)25-24-14/h3-10H,1-2H3,(H,23,28)(H,25,27)/p-1