3-[3,5-dimethyl-1-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]pyrazol-4-yl]propanoic acid

Systemtic Name: 3-[3,5-dimethyl-1-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]pyrazol-4-yl]propanoic acid Openeye Name: 3-[3,5-dimethyl-1-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]pyrazol-4-yl]propanoic acid CAS Name: 3-[3,5-dimethyl-1-[6-(4-phenyl-1-piperazinyl)-3-pyridazinyl]-4-pyrazolyl]propanoic acid IUPAC Name: 3-[3,5-dimethyl-1-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]pyrazol-4-yl]propanoic acid Traditional Name: 3-[3,5-dimethyl-1-[6-(4-phenylpiperazino)pyridazin-3-yl]pyrazol-4-yl]propionic acid Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=NN=C(C=C2)N3CCN(CC3)C4=CC=CC=C4)C)CCC(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=NN=C(C=C2)N3CCN(CC3)C4=CC=CC=C4)C)CCC(=O)O

InChI

InChI=1S/C22H26N6O2/c1-16-19(8-11-22(29)30)17(2)28(25-16)21-10-9-20(23-24-21)27-14-12-26(13-15-27)18-6-4-3-5-7-18/h3-7,9-10H,8,11-15H2,1-2H3,(H,29,30)