1-[3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]piperidine-4-carboxylic acid Openeye Name: 1-[3,4-dimethyl-2-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]piperidine-4-carboxylic acid CAS Name: 1-[3,4-dimethyl-2-(4-methylphenyl)-7-pyrazolo[3,4-d]pyridazinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]piperidine-4-carboxylic acid Traditional Name: 1-[3,4-dimethyl-2-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]isonipecotic acid Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=N2)N4CCC(CC4)C(=O)O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=N2)N4CCC(CC4)C(=O)O)C)C

InChI

InChI=1S/C20H23N5O2/c1-12-4-6-16(7-5-12)25-14(3)17-13(2)21-22-19(18(17)23-25)24-10-8-15(9-11-24)20(26)27/h4-7,15H,8-11H2,1-3H3,(H,26,27)