4-[3-(pyridin-2-ylmethyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[3-(pyridin-2-ylmethyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Openeye Name: 4-[3-(2-pyridylmethyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid CAS Name: 4-[3-(2-pyridinylmethyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid IUPAC Name: 4-[3-(pyridin-2-ylmethyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Traditional Name: 4-[3-(2-pyridylmethyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Formula: C18H16N4O2 MolecularWeight: 320.34524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C2C1=C(NN2C3=CC=C(C=C3)C(=O)O)CC4=CC=CC=N4

Isomeric SMILES

C1CN=C2C1=C(NN2C3=CC=C(C=C3)C(=O)O)CC4=CC=CC=N4

InChI

InChI=1S/C18H16N4O2/c23-18(24)12-4-6-14(7-5-12)22-17-15(8-10-20-17)16(21-22)11-13-3-1-2-9-19-13/h1-7,9,21H,8,10-11H2,(H,23,24)