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

Systemtic Name: 3-[3-(piperidin-1-ylmethyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Openeye Name: 3-[3-(1-piperidylmethyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid CAS Name: 3-[3-(1-piperidinylmethyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid IUPAC Name: 3-[3-(piperidin-1-ylmethyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Traditional Name: 3-[3-(piperidinomethyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=C3CCN=C3N(N2)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1CCN(CC1)CC2=C3CCN=C3N(N2)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C18H22N4O2/c23-18(24)13-5-4-6-14(11-13)22-17-15(7-8-19-17)16(20-22)12-21-9-2-1-3-10-21/h4-6,11,20H,1-3,7-10,12H2,(H,23,24)