6-[5-(phenylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]pyridine-3-carboxylic acid

Systemtic Name: 6-[5-(phenylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]pyridine-3-carboxylic acid Openeye Name: 6-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)pyridine-3-carboxylic acid CAS Name: 6-[5-(phenylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-3-pyridinecarboxylic acid IUPAC Name: 6-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)pyridine-3-carboxylic acid Traditional Name: 6-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)nicotinic acid Formula: C18H16N4O2 MolecularWeight: 320.34524

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN1CC3=CC=CC=C3)NN=C2C4=NC=C(C=C4)C(=O)O

Isomeric SMILES

C1C2=C(CN1CC3=CC=CC=C3)NN=C2C4=NC=C(C=C4)C(=O)O

InChI

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