1-[6-[2-(2-methylphenyl)carbonylimidazol-1-yl]pyridazin-3-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-[2-(2-methylphenyl)carbonylimidazol-1-yl]pyridazin-3-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-[2-(2-methylbenzoyl)imidazol-1-yl]pyridazin-3-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-[2-[(2-methylphenyl)-oxomethyl]-1-imidazolyl]-3-pyridazinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-[2-(2-methylbenzoyl)imidazol-1-yl]pyridazin-3-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(2-o-toluoylimidazol-1-yl)pyridazin-3-yl]isonipecotic acid Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=NC=CN2C3=NN=C(C=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=NC=CN2C3=NN=C(C=C3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C21H21N5O3/c1-14-4-2-3-5-16(14)19(27)20-22-10-13-26(20)18-7-6-17(23-24-18)25-11-8-15(9-12-25)21(28)29/h2-7,10,13,15H,8-9,11-12H2,1H3,(H,28,29)