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

Systemtic Name: 1-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)piperidine-3-carboxylic acid Openeye Name: 1-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)piperidine-3-carboxylic acid CAS Name: 1-(3,4-dimethyl-2-phenyl-7-pyrazolo[3,4-d]pyridazinyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)piperidine-3-carboxylic acid Traditional Name: 1-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)nipecotic 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)N4CCCC(C4)C(=O)O)C

Isomeric SMILES

CC1=C2C(=NN=C(C2=NN1C3=CC=CC=C3)N4CCCC(C4)C(=O)O)C

InChI

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