4-methyl-2-[[6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridazin-3-yl]carbonylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[[6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridazin-3-yl]carbonylamino]pentanoic acid Openeye Name: 4-methyl-2-[[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carbonyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[oxo-[6-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-3-pyridazinyl]methyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carbonyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[[6-[4-[2-(trifluoromethyl)benzoyl]piperazino]pyridazine-3-carbonyl]amino]valeric acid Formula: C23H26F3N5O4 MolecularWeight: 493.47885

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=NN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=NN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C23H26F3N5O4/c1-14(2)13-18(22(34)35)27-20(32)17-7-8-19(29-28-17)30-9-11-31(12-10-30)21(33)15-5-3-4-6-16(15)23(24,25)26/h3-8,14,18H,9-13H2,1-2H3,(H,27,32)(H,34,35)