3-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]carbonyl-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

Systemtic Name: 3-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]carbonyl-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Openeye Name: 3-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one CAS Name: 3-[[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-6-methyl-1-[3-(trifluoromethyl)phenyl]-4-pyridazinone IUPAC Name: 3-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Traditional Name: 3-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Formula: C26H25F3N4O3 MolecularWeight: 498.49691

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=NN(C(=CC3=O)C)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=NN(C(=CC3=O)C)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C26H25F3N4O3/c1-3-18-7-9-19(10-8-18)24(35)31-11-13-32(14-12-31)25(36)23-22(34)15-17(2)33(30-23)21-6-4-5-20(16-21)26(27,28)29/h4-10,15-16H,3,11-14H2,1-2H3