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

Systemtic Name: 1-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)piperidine-4-carboxylic acid Openeye Name: 1-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)piperidine-4-carboxylic acid CAS Name: 1-(3,4-dimethyl-2-phenyl-7-pyrazolo[3,4-d]pyridazinyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)piperidine-4-carboxylic acid Traditional Name: 1-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)isonipecotic acid Formula: C19H21N5O2 MolecularWeight: 351.40234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN=C(C2=NN1C3=CC=CC=C3)N4CCC(CC4)C(=O)O)C

Isomeric SMILES

CC1=C2C(=NN=C(C2=NN1C3=CC=CC=C3)N4CCC(CC4)C(=O)O)C

InChI

InChI=1S/C19H21N5O2/c1-12-16-13(2)24(15-6-4-3-5-7-15)22-17(16)18(21-20-12)23-10-8-14(9-11-23)19(25)26/h3-7,14H,8-11H2,1-2H3,(H,25,26)