7-[2,4-bis(trifluoromethyl)phenyl]-2-ethyl-5-methyl-3-pentan-3-yl-imidazo[4,5-d]pyridazin-4-one

Systemtic Name: 7-[2,4-bis(trifluoromethyl)phenyl]-2-ethyl-5-methyl-3-pentan-3-yl-imidazo[4,5-d]pyridazin-4-one Openeye Name: 7-[2,4-bis(trifluoromethyl)phenyl]-2-ethyl-3-(1-ethylpropyl)-5-methyl-imidazo[4,5-d]pyridazin-4-one CAS Name: 7-[2,4-bis(trifluoromethyl)phenyl]-2-ethyl-5-methyl-3-pentan-3-yl-4-imidazo[4,5-d]pyridazinone IUPAC Name: 7-[2,4-bis(trifluoromethyl)phenyl]-2-ethyl-5-methyl-3-pentan-3-ylimidazo[4,5-d]pyridazin-4-one Traditional Name: 7-[2,4-bis(trifluoromethyl)phenyl]-2-ethyl-3-(1-ethylpropyl)-5-methyl-imidazo[4,5-d]pyridazin-4-one Formula: C21H22F6N4O MolecularWeight: 460.415999

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C(CC)CC)C(=O)N(N=C2C3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F)C

Isomeric SMILES

CCC1=NC2=C(N1C(CC)CC)C(=O)N(N=C2C3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F)C

InChI

InChI=1S/C21H22F6N4O/c1-5-12(6-2)31-15(7-3)28-17-16(29-30(4)19(32)18(17)31)13-9-8-11(20(22,23)24)10-14(13)21(25,26)27/h8-10,12H,5-7H2,1-4H3