3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]carbonyl-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

Systemtic Name: 3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]carbonyl-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Openeye Name: 3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one CAS Name: 3-[[2-(4-ethoxyphenyl)-1-pyrrolidinyl]-oxomethyl]-6-methyl-1-[3-(trifluoromethyl)phenyl]-4-pyridazinone IUPAC Name: 3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Traditional Name: 6-methyl-3-(2-p-phenetylpyrrolidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Formula: C25H24F3N3O3 MolecularWeight: 471.47157

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2C(=O)C3=NN(C(=CC3=O)C)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CCCN2C(=O)C3=NN(C(=CC3=O)C)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C25H24F3N3O3/c1-3-34-20-11-9-17(10-12-20)21-8-5-13-30(21)24(33)23-22(32)14-16(2)31(29-23)19-7-4-6-18(15-19)25(26,27)28/h4,6-7,9-12,14-15,21H,3,5,8,13H2,1-2H3